1-[[3-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[4-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-benzyl-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(3-chloro-2,6-difluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(5-chloro-2-fluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea

C159H151Cl9F4N26O6 — CID 158117799

IUPAC1-[[3-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[4-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-benzyl-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(3-chloro-2,6-difluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(5-chloro-2-fluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea
SMILESCc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3c(Cl)ccc(C)c3F)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3c(F)ccc(Cl)c3F)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3cc(Cl)ccc3F)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3ccc(CN)cc3)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3cccc(CN)c3)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3ccccc3)[nH]c2Cl)cc1
InChIInChI=1S/C27H25Cl2FN4O.2C27H28ClN5O.C26H22Cl2F2N4O.C26H23Cl2FN4O.C26H25ClN4O/c1-16-8-11-19(12-9-16)24-25(29)34-26(33-24)22(14-18-6-4-3-5-7-18)32-27(35)31-15-20-21(28)13-10-17(2)23(20)30;1-18-10-12-22(13-11-18)24-25(28)33-26(32-24)23(15-19-6-3-2-4-7-19)31-27(34)30-17-21-9-5-8-20(14-21)16-29;1-18-7-13-22(14-8-18)24-25(28)33-26(32-24)23(15-19-5-3-2-4-6-19)31-27(34)30-17-21-11-9-20(16-29)10-12-21;1-15-7-9-17(10-8-15)23-24(28)34-25(33-23)21(13-16-5-3-2-4-6-16)32-26(35)31-14-18-20(29)12-11-19(27)22(18)30;1-16-7-9-18(10-8-16)23-24(28)33-25(32-23)22(13-17-5-3-2-4-6-17)31-26(34)30-15-19-14-20(27)11-12-21(19)29;1-18-12-14-21(15-13-18)23-24(27)31-25(30-23)22(16-19-8-4-2-5-9-19)29-26(32)28-17-20-10-6-3-7-11-20/h3-13,22H,14-15H2,1-2H3,(H,33,34)(H2,31,32,35);2*2-14,23H,15-17,29H2,1H3,(H,32,33)(H2,30,31,34);2-12,21H,13-14H2,1H3,(H,33,34)(H2,31,32,35);2-12,14,22H,13,15H2,1H3,(H,32,33)(H2,30,31,34);2-15,22H,16-17H2,1H3,(H,30,31)(H2,28,29,32)/t22-;2*23-;21-;2*22-/m000000/s1
InChIKeyFRFQFUPJIXQQEW-SYQHENAZSA-N
MW2917.20 g/mol
LogP36.67
Rot. Bonds44

About 1-[[3-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[4-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-benzyl-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(3-chloro-2,6-difluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(5-chloro-2-fluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea

1-[[3-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[4-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-benzyl-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(3-chloro-2,6-difluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(5-chloro-2-fluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea (PubChem CID 158117799) has the molecular formula C159H151Cl9F4N26O6 and a molecular weight of 2917.20 g/mol. Its IUPAC name is 1-[[3-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[4-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-benzyl-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(3-chloro-2,6-difluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(5-chloro-2-fluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea.

Molecular Properties

Compound Name1-[[3-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[4-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-benzyl-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(3-chloro-2,6-difluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(5-chloro-2-fluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea
PubChem CID158117799
Molecular FormulaC159H151Cl9F4N26O6
Molecular Weight2917.20 g/mol
Exact Mass2910.94
IUPAC Name1-[[3-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[4-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-benzyl-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(3-chloro-2,6-difluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(5-chloro-2-fluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea
SMILESCc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3c(Cl)ccc(C)c3F)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3c(F)ccc(Cl)c3F)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3cc(Cl)ccc3F)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3ccc(CN)cc3)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3cccc(CN)c3)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3ccccc3)[nH]c2Cl)cc1
InChIInChI=1S/C27H25Cl2FN4O.2C27H28ClN5O.C26H22Cl2F2N4O.C26H23Cl2FN4O.C26H25ClN4O/c1-16-8-11-19(12-9-16)24-25(29)34-26(33-24)22(14-18-6-4-3-5-7-18)32-27(35)31-15-20-21(28)13-10-17(2)23(20)30;1-18-10-12-22(13-11-18)24-25(28)33-26(32-24)23(15-19-6-3-2-4-7-19)31-27(34)30-17-21-9-5-8-20(14-21)16-29;1-18-7-13-22(14-8-18)24-25(28)33-26(32-24)23(15-19-5-3-2-4-6-19)31-27(34)30-17-21-11-9-20(16-29)10-12-21;1-15-7-9-17(10-8-15)23-24(28)34-25(33-23)21(13-16-5-3-2-4-6-16)32-26(35)31-14-18-20(29)12-11-19(27)22(18)30;1-16-7-9-18(10-8-16)23-24(28)33-25(32-23)22(13-17-5-3-2-4-6-17)31-26(34)30-15-19-14-20(27)11-12-21(19)29;1-18-12-14-21(15-13-18)23-24(27)31-25(30-23)22(16-19-8-4-2-5-9-19)29-26(32)28-17-20-10-6-3-7-11-20/h3-13,22H,14-15H2,1-2H3,(H,33,34)(H2,31,32,35);2*2-14,23H,15-17,29H2,1H3,(H,32,33)(H2,30,31,34);2-12,21H,13-14H2,1H3,(H,33,34)(H2,31,32,35);2-12,14,22H,13,15H2,1H3,(H,32,33)(H2,30,31,34);2-15,22H,16-17H2,1H3,(H,30,31)(H2,28,29,32)/t22-;2*23-;21-;2*22-/m000000/s1
InChIKeyFRFQFUPJIXQQEW-SYQHENAZSA-N
XLogP36.67
TPSA470.90 Ų
H-Bond Donors20
H-Bond Acceptors14
Rotatable Bonds44
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002917.20
LogP ≤ 536.67
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-[[3-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[4-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-benzyl-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(3-chloro-2,6-difluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(5-chloro-2-fluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-[1-[5-chloro-4-(1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(2,6-difluoro-3-methylphenyl)methyl]urea
CID 143489832
1-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-methylphenyl)methyl]urea
CID 24764957
1-[(3-chloro-2-fluorophenyl)methyl]-3-[1-[5-chloro-4-(1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea
CID 143489718
1-[(3-chloro-2-fluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea
CID 54723828
1-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-3-[(3-fluorophenyl)methyl]urea
CID 24765513
1-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(methylsulfanylmethyl)phenyl]methyl]urea
CID 24765061
1-[(2-amino-5-chlorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(1H-indazol-6-yl)-1H-imidazol-2-yl]-3-phenylpropyl]urea;methanamine
CID 143489723
methyl N-[4-[5-chloro-2-[(1S)-1-[3-(3-chloro-2,6-difluorophenyl)prop-2-enoylamino]-2-phenylethyl]-1H-imidazol-4-yl]phenyl]carbamate
CID 66938725
1-benzyl-3-[(5-chloro-2-fluorophenyl)methyl]urea
CID 110775324
methyl N-[4-[5-chloro-2-[(1S)-1-[3-[5-chloro-2-[(hexanoylamino)methyl]phenyl]propanoylamino]-2-phenylethyl]-1H-imidazol-4-yl]phenyl]carbamate
CID 59559802
1-[(2R)-2-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-3-[(3-chloro-2,6-difluorophenyl)methyl]urea
CID 67212414
methyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(dimethylcarbamoyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate
CID 24764776

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[4-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-benzyl-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(3-chloro-2,6-difluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(5-chloro-2-fluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea?
The IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[4-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-benzyl-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(3-chloro-2,6-difluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(5-chloro-2-fluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea (CID 158117799) is 1-[[3-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[4-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-benzyl-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(3-chloro-2,6-difluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(5-chloro-2-fluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea.
What is the SMILES notation for 1-[[3-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[4-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-benzyl-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(3-chloro-2,6-difluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(5-chloro-2-fluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea?
The canonical SMILES for 1-[[3-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[4-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-benzyl-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(3-chloro-2,6-difluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(5-chloro-2-fluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea is Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3c(Cl)ccc(C)c3F)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3c(F)ccc(Cl)c3F)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3cc(Cl)ccc3F)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3ccc(CN)cc3)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3cccc(CN)c3)[nH]c2Cl)cc1.Cc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3ccccc3)[nH]c2Cl)cc1.
What is the InChIKey of 1-[[3-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[4-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-benzyl-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(3-chloro-2,6-difluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(5-chloro-2-fluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea?
The InChIKey is FRFQFUPJIXQQEW-SYQHENAZSA-N. The full InChI is InChI=1S/C27H25Cl2FN4O.2C27H28ClN5O.C26H22Cl2F2N4O.C26H23Cl2FN4O.C26H25ClN4O/c1-16-8-11-19(12-9-16)24-25(29)34-26(33-24)22(14-18-6-4-3-5-7-18)32-27(35)31-15-20-21(28)13-10-17(2)23(20)30;1-18-10-12-22(13-11-18)24-25(28)33-26(32-24)23(15-19-6-3-2-4-7-19)31-27(34)30-17-21-9-5-8-20(14-21)16-29;1-18-7-13-22(14-8-18)24-25(28)33-26(32-24)23(15-19-5-3-2-4-6-19)31-27(34)30-17-21-11-9-20(16-29)10-12-21;1-15-7-9-17(10-8-15)23-24(28)34-25(33-23)21(13-16-5-3-2-4-6-16)32-26(35)31-14-18-20(29)12-11-19(27)22(18)30;1-16-7-9-18(10-8-16)23-24(28)33-25(32-23)22(13-17-5-3-2-4-6-17)31-26(34)30-15-19-14-20(27)11-12-21(19)29;1-18-12-14-21(15-13-18)23-24(27)31-25(30-23)22(16-19-8-4-2-5-9-19)29-26(32)28-17-20-10-6-3-7-11-20/h3-13,22H,14-15H2,1-2H3,(H,33,34)(H2,31,32,35);2*2-14,23H,15-17,29H2,1H3,(H,32,33)(H2,30,31,34);2-12,21H,13-14H2,1H3,(H,33,34)(H2,31,32,35);2-12,14,22H,13,15H2,1H3,(H,32,33)(H2,30,31,34);2-15,22H,16-17H2,1H3,(H,30,31)(H2,28,29,32)/t22-;2*23-;21-;2*22-/m000000/s1.
What are the key properties of 1-[[3-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[4-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-benzyl-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(3-chloro-2,6-difluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(5-chloro-2-fluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea?
1-[[3-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[4-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-benzyl-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(3-chloro-2,6-difluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(5-chloro-2-fluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea has a molecular weight of 2917.20 g/mol, XLogP of 36.67, 44 rotatable bonds, 20 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[4-(aminomethyl)phenyl]methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-benzyl-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(3-chloro-2,6-difluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[(5-chloro-2-fluorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(4-methylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]urea is sourced from PubChem (CID 158117799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).