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

C31H30Cl2N10O4 — CID 24764776

IUPACmethyl 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
SMILESCOC(=O)Nc1ccc(-c2nc([C@H](Cc3cccc(C(=O)N(C)C)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1
InChIInChI=1S/C31H30Cl2N10O4/c1-42(2)29(44)20-6-4-5-18(13-20)14-24(28-38-26(27(33)39-28)19-7-10-23(11-8-19)36-31(46)47-3)37-30(45)34-16-21-15-22(32)9-12-25(21)43-17-35-40-41-43/h4-13,15,17,24H,14,16H2,1-3H3,(H,36,46)(H,38,39)(H2,34,37,45)/t24-/m0/s1
InChIKeyVISBILQDYCDPBI-DEOSSOPVSA-N
MW677.55 g/mol
LogP5.02
Rot. Bonds10

About 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

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 (PubChem CID 24764776) has the molecular formula C31H30Cl2N10O4 and a molecular weight of 677.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID24764776
Molecular FormulaC31H30Cl2N10O4
Molecular Weight677.55 g/mol
Exact Mass676.18
IUPAC Namemethyl 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
SMILESCOC(=O)Nc1ccc(-c2nc([C@H](Cc3cccc(C(=O)N(C)C)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1
InChIInChI=1S/C31H30Cl2N10O4/c1-42(2)29(44)20-6-4-5-18(13-20)14-24(28-38-26(27(33)39-28)19-7-10-23(11-8-19)36-31(46)47-3)37-30(45)34-16-21-15-22(32)9-12-25(21)43-17-35-40-41-43/h4-13,15,17,24H,14,16H2,1-3H3,(H,36,46)(H,38,39)(H2,34,37,45)/t24-/m0/s1
InChIKeyVISBILQDYCDPBI-DEOSSOPVSA-N
XLogP5.02
TPSA172.05 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.55
LogP ≤ 55.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 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 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

methyl N-[4-[5-chloro-2-[(1S)-1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoylamino]-2-phenylethyl]-1H-imidazol-4-yl]phenyl]carbamate
CID 66939135
(3S)-3-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-3-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoylamino]propanoic acid
CID 66938507
methyl N-[4-[5-chloro-2-[(1S)-1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoylamino]-2-(1,5-dimethylpyrazol-3-yl)ethyl]-1H-imidazol-4-yl]phenyl]carbamate
CID 66938915
methyl N-[4-[5-chloro-2-[(1S)-1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoylamino]-3-(2-ethoxyethylamino)-3-oxopropyl]-1H-imidazol-4-yl]phenyl]carbamate
CID 66939209
methyl 4-[5-chloro-2-[(1S)-1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoylamino]-2-phenylethyl]-1H-imidazol-4-yl]benzoate
CID 66938624
1-[1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-methyl-2-(tetrazol-1-yl)phenyl]methyl]urea
CID 66938770
N-[1-[5-chloro-4-(4-cyanophenyl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanamide
CID 76693839
tert-butyl 3-[(2S)-2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoylamino]ethyl]indole-1-carboxylate
CID 67211839
[5-chloro-2-(tetrazol-1-yl)phenyl]methyl N-[1-[5-chloro-4-(4-hydroxy-2-oxo-1H-quinolin-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamate
CID 66939095
methyl N-[4-[5-chloro-2-[(1S)-1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoylamino]-3-oxo-3-(2-pyridin-4-ylpyrrolidin-1-yl)propyl]-1H-imidazol-4-yl]phenyl]carbamate
CID 66939050
3-[4-[5-chloro-2-[(1S)-1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoylamino]-2-phenylethyl]-1H-imidazol-4-yl]phenyl]propanoic acid
CID 66939148
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)Nc1ccc(-c2nc([C@H](Cc3cccc(C(=O)N(C)C)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.
What is the InChIKey of 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?
The InChIKey is VISBILQDYCDPBI-DEOSSOPVSA-N. The full InChI is InChI=1S/C31H30Cl2N10O4/c1-42(2)29(44)20-6-4-5-18(13-20)14-24(28-38-26(27(33)39-28)19-7-10-23(11-8-19)36-31(46)47-3)37-30(45)34-16-21-15-22(32)9-12-25(21)43-17-35-40-41-43/h4-13,15,17,24H,14,16H2,1-3H3,(H,36,46)(H,38,39)(H2,34,37,45)/t24-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 677.55 g/mol, XLogP of 5.02, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24764776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).