1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-methyl-2-(tetrazol-1-yl)phenyl]methyl]urea;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(6-methoxy-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(2-methyl-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea;(3-chlorophenyl)methyl N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate;[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate

C171H151Cl11N42O11 — CID 158287472

IUPAC1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-methyl-2-(tetrazol-1-yl)phenyl]methyl]urea;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(6-methoxy-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(2-methyl-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea;(3-chlorophenyl)methyl N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate;[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate
SMILESC=C1C=C(O)c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)OCc4cc(Cl)ccc4-n4cnnn4)[nH]c3Cl)ccc2N1.COc1ccc(C[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2nc(-c3ccc(C)cc3)c(Cl)[nH]2)cn1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3cc(Cl)ccc3N3CCCC3=O)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)OCc3cccc(Cl)c3)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3cccnc3C)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.Cc1ccc(-n2cnnn2)c(CNC(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(C)[nH]nc4c3)c(Cl)[nH]2)c1
InChIInChI=1S/C30H24Cl2N8O3.C30H29Cl2N5O2.C29H27ClN10O.C28H24Cl2N8O2.C28H24Cl2N8O.C26H23Cl2N3O2/c1-17-11-26(41)22-14-19(7-9-23(22)34-17)27-28(32)37-29(36-27)24(12-18-5-3-2-4-6-18)35-30(42)43-15-20-13-21(31)8-10-25(20)40-16-33-38-39-40;1-19-9-11-21(12-10-19)27-28(32)36-29(35-27)24(16-20-6-3-2-4-7-20)34-30(39)33-18-22-17-23(31)13-14-25(22)37-15-5-8-26(37)38;1-17-8-11-25(40-16-32-38-39-40)21(12-17)15-31-29(41)33-24(13-19-6-4-3-5-7-19)28-34-26(27(30)35-28)20-9-10-22-18(2)36-37-23(22)14-20;1-17-3-6-19(7-4-17)26-27(30)35-28(34-26)22(13-18-5-12-25(40-2)31-15-18)33-24(39)11-8-20-14-21(29)9-10-23(20)38-16-32-36-37-38;1-17-5-7-19(8-6-17)26-27(30)35-28(34-26)23(15-20-4-3-13-31-18(20)2)33-25(39)12-9-21-14-22(29)10-11-24(21)38-16-32-36-37-38;1-17-10-12-20(13-11-17)23-24(28)31-25(30-23)22(15-18-6-3-2-4-7-18)29-26(32)33-16-19-8-5-9-21(27)14-19/h2-11,13-14,16,24,34,41H,1,12,15H2,(H,35,42)(H,36,37);2-4,6-7,9-14,17,24H,5,8,15-16,18H2,1H3,(H,35,36)(H2,33,34,39);3-12,14,16,24H,13,15H2,1-2H3,(H,34,35)(H,36,37)(H2,31,33,41);3-12,14-16,22H,13H2,1-2H3,(H,33,39)(H,34,35);3-14,16,23H,15H2,1-2H3,(H,33,39)(H,34,35);2-14,22H,15-16H2,1H3,(H,29,32)(H,30,31)/b;;;11-8+;12-9+;/t3*24-;22-;23-;22-/m000000/s1
InChIKeyGKYLENXFXBQQJW-MDGURKJNSA-N
MW3360.35 g/mol
LogP35.56
Rot. Bonds48

About 1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-methyl-2-(tetrazol-1-yl)phenyl]methyl]urea;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(6-methoxy-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(2-methyl-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea;(3-chlorophenyl)methyl N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate;[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate

1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-methyl-2-(tetrazol-1-yl)phenyl]methyl]urea;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(6-methoxy-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(2-methyl-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea;(3-chlorophenyl)methyl N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate;[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate (PubChem CID 158287472) has the molecular formula C171H151Cl11N42O11 and a molecular weight of 3360.35 g/mol. Its IUPAC name is 1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-methyl-2-(tetrazol-1-yl)phenyl]methyl]urea;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(6-methoxy-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(2-methyl-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea;(3-chlorophenyl)methyl N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate;[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate.

Molecular Properties

Compound Name1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-methyl-2-(tetrazol-1-yl)phenyl]methyl]urea;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(6-methoxy-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(2-methyl-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea;(3-chlorophenyl)methyl N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate;[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate
PubChem CID158287472
Molecular FormulaC171H151Cl11N42O11
Molecular Weight3360.35 g/mol
Exact Mass3352.91
IUPAC Name1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-methyl-2-(tetrazol-1-yl)phenyl]methyl]urea;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(6-methoxy-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(2-methyl-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea;(3-chlorophenyl)methyl N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate;[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate
SMILESC=C1C=C(O)c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)OCc4cc(Cl)ccc4-n4cnnn4)[nH]c3Cl)ccc2N1.COc1ccc(C[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2nc(-c3ccc(C)cc3)c(Cl)[nH]2)cn1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3cc(Cl)ccc3N3CCCC3=O)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)OCc3cccc(Cl)c3)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3cccnc3C)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.Cc1ccc(-n2cnnn2)c(CNC(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(C)[nH]nc4c3)c(Cl)[nH]2)c1
InChIInChI=1S/C30H24Cl2N8O3.C30H29Cl2N5O2.C29H27ClN10O.C28H24Cl2N8O2.C28H24Cl2N8O.C26H23Cl2N3O2/c1-17-11-26(41)22-14-19(7-9-23(22)34-17)27-28(32)37-29(36-27)24(12-18-5-3-2-4-6-18)35-30(42)43-15-20-13-21(31)8-10-25(20)40-16-33-38-39-40;1-19-9-11-21(12-10-19)27-28(32)36-29(35-27)24(16-20-6-3-2-4-7-20)34-30(39)33-18-22-17-23(31)13-14-25(22)37-15-5-8-26(37)38;1-17-8-11-25(40-16-32-38-39-40)21(12-17)15-31-29(41)33-24(13-19-6-4-3-5-7-19)28-34-26(27(30)35-28)20-9-10-22-18(2)36-37-23(22)14-20;1-17-3-6-19(7-4-17)26-27(30)35-28(34-26)22(13-18-5-12-25(40-2)31-15-18)33-24(39)11-8-20-14-21(29)9-10-23(20)38-16-32-36-37-38;1-17-5-7-19(8-6-17)26-27(30)35-28(34-26)23(15-20-4-3-13-31-18(20)2)33-25(39)12-9-21-14-22(29)10-11-24(21)38-16-32-36-37-38;1-17-10-12-20(13-11-17)23-24(28)31-25(30-23)22(15-18-6-3-2-4-7-18)29-26(32)33-16-19-8-5-9-21(27)14-19/h2-11,13-14,16,24,34,41H,1,12,15H2,(H,35,42)(H,36,37);2-4,6-7,9-14,17,24H,5,8,15-16,18H2,1H3,(H,35,36)(H2,33,34,39);3-12,14,16,24H,13,15H2,1-2H3,(H,34,35)(H,36,37)(H2,31,33,41);3-12,14-16,22H,13H2,1-2H3,(H,33,39)(H,34,35);3-14,16,23H,15H2,1-2H3,(H,33,39)(H,34,35);2-14,22H,15-16H2,1H3,(H,29,32)(H,30,31)/b;;;11-8+;12-9+;/t3*24-;22-;23-;22-/m000000/s1
InChIKeyGKYLENXFXBQQJW-MDGURKJNSA-N
XLogP35.56
TPSA679.86 Ų
H-Bond Donors17
H-Bond Acceptors37
Rotatable Bonds48
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003360.35
LogP ≤ 535.56
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-methyl-2-(tetrazol-1-yl)phenyl]methyl]urea;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(6-methoxy-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(2-methyl-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea;(3-chlorophenyl)methyl N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate;[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzamide;3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]-N,N-dimethylbenzamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]-3-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]urea;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-3-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]urea
CID 159534439
propyl 4-[2-[3-(aminomethyl)-4-fluorophenyl]-4-chloroquinoline-7-carbonyl]piperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-[3-(hydroxymethyl)-4-methoxyphenyl]quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(1H-indazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl (2S)-4-[4-chloro-2-(2-methylindazol-5-yl)quinoline-7-carbonyl]-2-methylpiperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(1-methylpyrazol-3-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;propyl 4-[4-chloro-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinoline-7-carbonyl]piperazine-1-carboxylate;sulfane
CID 159575486

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-methyl-2-(tetrazol-1-yl)phenyl]methyl]urea;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(6-methoxy-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(2-methyl-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea;(3-chlorophenyl)methyl N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate;[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate?
The IUPAC name of 1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-methyl-2-(tetrazol-1-yl)phenyl]methyl]urea;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(6-methoxy-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(2-methyl-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea;(3-chlorophenyl)methyl N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate;[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate (CID 158287472) is 1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-methyl-2-(tetrazol-1-yl)phenyl]methyl]urea;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(6-methoxy-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(2-methyl-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea;(3-chlorophenyl)methyl N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate;[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate.
What is the SMILES notation for 1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-methyl-2-(tetrazol-1-yl)phenyl]methyl]urea;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(6-methoxy-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(2-methyl-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea;(3-chlorophenyl)methyl N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate;[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate?
The canonical SMILES for 1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-methyl-2-(tetrazol-1-yl)phenyl]methyl]urea;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(6-methoxy-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(2-methyl-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea;(3-chlorophenyl)methyl N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate;[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate is C=C1C=C(O)c2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)OCc4cc(Cl)ccc4-n4cnnn4)[nH]c3Cl)ccc2N1.COc1ccc(C[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2nc(-c3ccc(C)cc3)c(Cl)[nH]2)cn1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3cc(Cl)ccc3N3CCCC3=O)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)OCc3cccc(Cl)c3)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3cccnc3C)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.Cc1ccc(-n2cnnn2)c(CNC(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(C)[nH]nc4c3)c(Cl)[nH]2)c1.
What is the InChIKey of 1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-methyl-2-(tetrazol-1-yl)phenyl]methyl]urea;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(6-methoxy-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(2-methyl-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea;(3-chlorophenyl)methyl N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate;[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate?
The InChIKey is GKYLENXFXBQQJW-MDGURKJNSA-N. The full InChI is InChI=1S/C30H24Cl2N8O3.C30H29Cl2N5O2.C29H27ClN10O.C28H24Cl2N8O2.C28H24Cl2N8O.C26H23Cl2N3O2/c1-17-11-26(41)22-14-19(7-9-23(22)34-17)27-28(32)37-29(36-27)24(12-18-5-3-2-4-6-18)35-30(42)43-15-20-13-21(31)8-10-25(20)40-16-33-38-39-40;1-19-9-11-21(12-10-19)27-28(32)36-29(35-27)24(16-20-6-3-2-4-7-20)34-30(39)33-18-22-17-23(31)13-14-25(22)37-15-5-8-26(37)38;1-17-8-11-25(40-16-32-38-39-40)21(12-17)15-31-29(41)33-24(13-19-6-4-3-5-7-19)28-34-26(27(30)35-28)20-9-10-22-18(2)36-37-23(22)14-20;1-17-3-6-19(7-4-17)26-27(30)35-28(34-26)22(13-18-5-12-25(40-2)31-15-18)33-24(39)11-8-20-14-21(29)9-10-23(20)38-16-32-36-37-38;1-17-5-7-19(8-6-17)26-27(30)35-28(34-26)23(15-20-4-3-13-31-18(20)2)33-25(39)12-9-21-14-22(29)10-11-24(21)38-16-32-36-37-38;1-17-10-12-20(13-11-17)23-24(28)31-25(30-23)22(15-18-6-3-2-4-7-18)29-26(32)33-16-19-8-5-9-21(27)14-19/h2-11,13-14,16,24,34,41H,1,12,15H2,(H,35,42)(H,36,37);2-4,6-7,9-14,17,24H,5,8,15-16,18H2,1H3,(H,35,36)(H2,33,34,39);3-12,14,16,24H,13,15H2,1-2H3,(H,34,35)(H,36,37)(H2,31,33,41);3-12,14-16,22H,13H2,1-2H3,(H,33,39)(H,34,35);3-14,16,23H,15H2,1-2H3,(H,33,39)(H,34,35);2-14,22H,15-16H2,1H3,(H,29,32)(H,30,31)/b;;;11-8+;12-9+;/t3*24-;22-;23-;22-/m000000/s1.
What are the key properties of 1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-methyl-2-(tetrazol-1-yl)phenyl]methyl]urea;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(6-methoxy-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(2-methyl-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea;(3-chlorophenyl)methyl N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate;[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate?
1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-methyl-2-(tetrazol-1-yl)phenyl]methyl]urea;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(6-methoxy-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(2-methyl-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea;(3-chlorophenyl)methyl N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate;[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate has a molecular weight of 3360.35 g/mol, XLogP of 35.56, 48 rotatable bonds, 17 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-methyl-2-(tetrazol-1-yl)phenyl]methyl]urea;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(6-methoxy-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-(2-methyl-3-pyridinyl)ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea;(3-chlorophenyl)methyl N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate;[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-methylidene-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate is sourced from PubChem (CID 158287472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).