7-methyl-N-[(2R)-2-phenylpropyl]-2-propylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide

C35H35N7OS — CID 127035265

IUPAC7-methyl-N-[(2R)-2-phenylpropyl]-2-propylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
SMILESCCCSc1nc2c(C)cc(C(=O)NC[C@H](C)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C35H35N7OS/c1-4-18-44-35-37-32-23(2)19-28(34(43)36-21-24(3)26-10-6-5-7-11-26)20-31(32)42(35)22-25-14-16-27(17-15-25)29-12-8-9-13-30(29)33-38-40-41-39-33/h5-17,19-20,24H,4,18,21-22H2,1-3H3,(H,36,43)(H,38,39,40,41)/t24-/m0/s1
InChIKeyONDPIKSLHQPDEN-DEOSSOPVSA-N
MW601.78 g/mol
LogP7.28
Rot. Bonds11

About 7-methyl-N-[(2R)-2-phenylpropyl]-2-propylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide

7-methyl-N-[(2R)-2-phenylpropyl]-2-propylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide (PubChem CID 127035265) has the molecular formula C35H35N7OS and a molecular weight of 601.78 g/mol. Its IUPAC name is 7-methyl-N-[(2R)-2-phenylpropyl]-2-propylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[(2R)-2-phenylpropyl]-2-propylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
PubChem CID127035265
Molecular FormulaC35H35N7OS
Molecular Weight601.78 g/mol
Exact Mass601.26
IUPAC Name7-methyl-N-[(2R)-2-phenylpropyl]-2-propylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
SMILESCCCSc1nc2c(C)cc(C(=O)NC[C@H](C)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C35H35N7OS/c1-4-18-44-35-37-32-23(2)19-28(34(43)36-21-24(3)26-10-6-5-7-11-26)20-31(32)42(35)22-25-14-16-27(17-15-25)29-12-8-9-13-30(29)33-38-40-41-39-33/h5-17,19-20,24H,4,18,21-22H2,1-3H3,(H,36,43)(H,38,39,40,41)/t24-/m0/s1
InChIKeyONDPIKSLHQPDEN-DEOSSOPVSA-N
XLogP7.28
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.78
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[2-ethylsulfanyl-4-methyl-6-[[(2S)-2-phenylpropyl]carbamoyl]benzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 127035391
7-methyl-N-[(2S)-2-phenylpropyl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carbothioamide
CID 127034739
7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 68722341
2-[4-[[4-methyl-6-[(2-methyl-3-oxo-3-phenylpropyl)carbamoyl]-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 57018987
7-methyl-N-phenyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-ylcarbamoyl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 127028930
methyl 2-ethylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-6-carboxylate
CID 19376798
6-methyl-2-propan-2-ylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[3,4-d]imidazole-4-carboxylic acid
CID 15291928
methyl 2,2-dicyano-N-[7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]ethanimidothioate
CID 54504396
4-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 19892186
4-methyl-2-propyl-6-pyridin-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
CID 10480536
2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 10834137
2-ethyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridin-5-amine
CID 154422383

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(2R)-2-phenylpropyl]-2-propylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide?
The IUPAC name of 7-methyl-N-[(2R)-2-phenylpropyl]-2-propylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide (CID 127035265) is 7-methyl-N-[(2R)-2-phenylpropyl]-2-propylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 7-methyl-N-[(2R)-2-phenylpropyl]-2-propylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 7-methyl-N-[(2R)-2-phenylpropyl]-2-propylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide is CCCSc1nc2c(C)cc(C(=O)NC[C@H](C)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 7-methyl-N-[(2R)-2-phenylpropyl]-2-propylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide?
The InChIKey is ONDPIKSLHQPDEN-DEOSSOPVSA-N. The full InChI is InChI=1S/C35H35N7OS/c1-4-18-44-35-37-32-23(2)19-28(34(43)36-21-24(3)26-10-6-5-7-11-26)20-31(32)42(35)22-25-14-16-27(17-15-25)29-12-8-9-13-30(29)33-38-40-41-39-33/h5-17,19-20,24H,4,18,21-22H2,1-3H3,(H,36,43)(H,38,39,40,41)/t24-/m0/s1.
What are the key properties of 7-methyl-N-[(2R)-2-phenylpropyl]-2-propylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide?
7-methyl-N-[(2R)-2-phenylpropyl]-2-propylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide has a molecular weight of 601.78 g/mol, XLogP of 7.28, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(2R)-2-phenylpropyl]-2-propylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 127035265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).