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

C122H115Cl8N37O9 — CID 159534439

IUPAC3-[(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
SMILESCOc1ccc(Cn2ccc(C[C@H](NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)c3nc(-c4ccc(C)cc4)c(Cl)[nH]3)n2)cc1.Cc1ccc(-c2nc([C@H](Cc3cccc(C(=O)N(C)C)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3cccc(C(=O)N4CCOCC4)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3cccc(C(N)=O)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1
InChIInChI=1S/C32H30Cl2N10O2.C32H31Cl2N9O3.C30H29Cl2N9O2.C28H25Cl2N9O2/c1-20-3-7-22(8-4-20)29-30(34)39-31(38-29)27(16-25-13-14-43(40-25)18-21-5-10-26(46-2)11-6-21)37-32(45)35-17-23-15-24(33)9-12-28(23)44-19-36-41-42-44;1-20-5-7-22(8-6-20)28-29(34)39-30(38-28)26(16-21-3-2-4-23(15-21)31(44)42-11-13-46-14-12-42)37-32(45)35-18-24-17-25(33)9-10-27(24)43-19-36-40-41-43;1-18-7-9-20(10-8-18)26-27(32)37-28(36-26)24(14-19-5-4-6-21(13-19)29(42)40(2)3)35-30(43)33-16-22-15-23(31)11-12-25(22)41-17-34-38-39-41;1-16-5-7-18(8-6-16)24-25(30)36-27(35-24)22(12-17-3-2-4-19(11-17)26(31)40)34-28(41)32-14-20-13-21(29)9-10-23(20)39-15-33-37-38-39/h3-15,19,27H,16-18H2,1-2H3,(H,38,39)(H2,35,37,45);2-10,15,17,19,26H,11-14,16,18H2,1H3,(H,38,39)(H2,35,37,45);4-13,15,17,24H,14,16H2,1-3H3,(H,36,37)(H2,33,35,43);2-11,13,15,22H,12,14H2,1H3,(H2,31,40)(H,35,36)(H2,32,34,41)/t27-;26-;24-;22-/m0000/s1
InChIKeyMDKJCTLHMKBJCR-DRXYLINESA-N
MW2527.14 g/mol
LogP20.33
Rot. Bonds38

About 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

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 (PubChem CID 159534439) has the molecular formula C122H115Cl8N37O9 and a molecular weight of 2527.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[(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
PubChem CID159534439
Molecular FormulaC122H115Cl8N37O9
Molecular Weight2527.14 g/mol
Exact Mass2521.72
IUPAC Name3-[(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
SMILESCOc1ccc(Cn2ccc(C[C@H](NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)c3nc(-c4ccc(C)cc4)c(Cl)[nH]3)n2)cc1.Cc1ccc(-c2nc([C@H](Cc3cccc(C(=O)N(C)C)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3cccc(C(=O)N4CCOCC4)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3cccc(C(N)=O)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1
InChIInChI=1S/C32H30Cl2N10O2.C32H31Cl2N9O3.C30H29Cl2N9O2.C28H25Cl2N9O2/c1-20-3-7-22(8-4-20)29-30(34)39-31(38-29)27(16-25-13-14-43(40-25)18-21-5-10-26(46-2)11-6-21)37-32(45)35-17-23-15-24(33)9-12-28(23)44-19-36-41-42-44;1-20-5-7-22(8-6-20)28-29(34)39-30(38-28)26(16-21-3-2-4-23(15-21)31(44)42-11-13-46-14-12-42)37-32(45)35-18-24-17-25(33)9-10-27(24)43-19-36-40-41-43;1-18-7-9-20(10-8-18)26-27(32)37-28(36-26)24(14-19-5-4-6-21(13-19)29(42)40(2)3)35-30(43)33-16-22-15-23(31)11-12-25(22)41-17-34-38-39-41;1-16-5-7-18(8-6-16)24-25(30)36-27(35-24)22(12-17-3-2-4-19(11-17)26(31)40)34-28(41)32-14-20-13-21(29)9-10-23(20)39-15-33-37-38-39/h3-15,19,27H,16-18H2,1-2H3,(H,38,39)(H2,35,37,45);2-10,15,17,19,26H,11-14,16,18H2,1H3,(H,38,39)(H2,35,37,45);4-13,15,17,24H,14,16H2,1-3H3,(H,36,37)(H2,33,35,43);2-11,13,15,22H,12,14H2,1H3,(H2,31,40)(H,35,36)(H2,32,34,41)/t27-;26-;24-;22-/m0000/s1
InChIKeyMDKJCTLHMKBJCR-DRXYLINESA-N
XLogP20.33
TPSA573.63 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds38
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002527.14
LogP ≤ 520.33
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-chloro-1-[5-[2-[2-(2,4-dimethylphenoxy)propanoylamino]phenyl]-1H-imidazol-2-yl]-3-phenylpyrazol-5-yl]benzamide;N-[4-[4-(4-chlorophenyl)-3-cyano-1H-pyrrol-2-yl]phenyl]-2-(2,4-dimethylphenoxy)butanamide;2-(2,4-dimethylphenoxy)-N-[2-(2-phenyl-1H-imidazol-5-yl)phenyl]hexanamide
CID 54532450
methyl N-[4-[5-chloro-2-[(1S)-1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate
CID 57976361
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
CID 68195849
N-[(1S)-1-[4-(4-aminophenyl)-5-chloro-1H-imidazol-2-yl]-2-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]ethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanamide
CID 70314718
tert-butyl (1S,4S)-5-[(3S)-3-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]propanoyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-3-[3-(4-methoxyphenoxy)azetidin-1-yl]-3-oxopropyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 91272914
(3S)-3-[5-(2-{bis[(4-methoxyphenyl)methyl]amino}pyrimidin-5-yl)-1H-imidazol-2-yl]-7-[5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-1,2,3,5-tetrahydroindolizin-5-one
CID 118106133
[6-Chloro-1-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-chlorophenyl)methanone;[6-chloro-1-[4-[3-(triazol-2-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methoxyphenoxy)methanol;[6-chloro-1-[4-[3-(1,2,4-triazol-1-yl)propoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone
CID 158234183
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
benzyl (3S)-3-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-3-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]propanoate;benzyl (3S)-3-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]propanoate;(3S)-3-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-3-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]-N-[(5-methylpyrazin-2-yl)methyl]propanamide;(3S)-3-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-3-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]propanoic acid;(3S)-3-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]propanoic acid;N-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-3-morpholin-4-yl-3-oxopropyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanamide
CID 159961769
CID 160412590
CID 160412590
3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]benzoic acid;3-[(2S)-2-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]ethyl]-N-methylbenzamide;1-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]urea;propyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate
CID 160838903
benzyl 3-tert-butylbenzoate;4-tert-butylaniline;1-tert-butyl-3-chloro-2-fluorobenzene;4-tert-butyl-2-chloro-1-fluorobenzene;1-tert-butyl-3,5-dichlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-3,5-difluorobenzene;1-tert-butyl-3-fluoro-5-methoxybenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-3-fluoro-5-methylbenzene;2-tert-butyl-1H-imidazole;1-tert-butyl-3-(2-methoxyethoxy)benzene;3-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-1-[(4-methoxyphenyl)methyl]imidazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;bis(2-(3-tert-butylphenoxy)-N,N-dimethylethanamine);3-tert-butyl-2H-pyrazolo[3,4-b]pyridine;4-tert-butylpyridine
CID 167545267

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(Cn2ccc(C[C@H](NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)c3nc(-c4ccc(C)cc4)c(Cl)[nH]3)n2)cc1.Cc1ccc(-c2nc([C@H](Cc3cccc(C(=O)N(C)C)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3cccc(C(=O)N4CCOCC4)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3cccc(C(N)=O)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.
What is the InChIKey of 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?
The InChIKey is MDKJCTLHMKBJCR-DRXYLINESA-N. The full InChI is InChI=1S/C32H30Cl2N10O2.C32H31Cl2N9O3.C30H29Cl2N9O2.C28H25Cl2N9O2/c1-20-3-7-22(8-4-20)29-30(34)39-31(38-29)27(16-25-13-14-43(40-25)18-21-5-10-26(46-2)11-6-21)37-32(45)35-17-23-15-24(33)9-12-28(23)44-19-36-41-42-44;1-20-5-7-22(8-6-20)28-29(34)39-30(38-28)26(16-21-3-2-4-23(15-21)31(44)42-11-13-46-14-12-42)37-32(45)35-18-24-17-25(33)9-10-27(24)43-19-36-40-41-43;1-18-7-9-20(10-8-18)26-27(32)37-28(36-26)24(14-19-5-4-6-21(13-19)29(42)40(2)3)35-30(43)33-16-22-15-23(31)11-12-25(22)41-17-34-38-39-41;1-16-5-7-18(8-6-16)24-25(30)36-27(35-24)22(12-17-3-2-4-19(11-17)26(31)40)34-28(41)32-14-20-13-21(29)9-10-23(20)39-15-33-37-38-39/h3-15,19,27H,16-18H2,1-2H3,(H,38,39)(H2,35,37,45);2-10,15,17,19,26H,11-14,16,18H2,1H3,(H,38,39)(H2,35,37,45);4-13,15,17,24H,14,16H2,1-3H3,(H,36,37)(H2,33,35,43);2-11,13,15,22H,12,14H2,1H3,(H2,31,40)(H,35,36)(H2,32,34,41)/t27-;26-;24-;22-/m0000/s1.
What are the key properties of 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?
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 has a molecular weight of 2527.14 g/mol, XLogP of 20.33, 38 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159534439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).