2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide

C25H22ClN7O — CID 121399226

IUPAC2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1cc2nc([C@@H](CNC(=O)c3ccc(-n4cnnn4)cc3Cl)c3ccccc3)[nH]c2cc1C
InChIInChI=1S/C25H22ClN7O/c1-15-10-22-23(11-16(15)2)30-24(29-22)20(17-6-4-3-5-7-17)13-27-25(34)19-9-8-18(12-21(19)26)33-14-28-31-32-33/h3-12,14,20H,13H2,1-2H3,(H,27,34)(H,29,30)/t20-/m0/s1
InChIKeyLRLRFFKCDATXMA-FQEVSTJZSA-N
MW471.95 g/mol
LogP4.37
Rot. Bonds6

About 2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide

2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 121399226) has the molecular formula C25H22ClN7O and a molecular weight of 471.95 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide
PubChem CID121399226
Molecular FormulaC25H22ClN7O
Molecular Weight471.95 g/mol
Exact Mass471.16
IUPAC Name2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1cc2nc([C@@H](CNC(=O)c3ccc(-n4cnnn4)cc3Cl)c3ccccc3)[nH]c2cc1C
InChIInChI=1S/C25H22ClN7O/c1-15-10-22-23(11-16(15)2)30-24(29-22)20(17-6-4-3-5-7-17)13-27-25(34)19-9-8-18(12-21(19)26)33-14-28-31-32-33/h3-12,14,20H,13H2,1-2H3,(H,27,34)(H,29,30)/t20-/m0/s1
InChIKeyLRLRFFKCDATXMA-FQEVSTJZSA-N
XLogP4.37
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.95
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide
CID 121399173
2-chloro-N-[(2S)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 118736139
2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-(3-fluorophenyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 121407206
2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-6-methyl-4-(1,2,4-triazol-4-yl)benzamide
CID 121399296
2-chloro-N-[2-(6-methyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 121407231
2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
CID 121407242
tert-butyl N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]carbamate
CID 140840685
2-chloro-N-[(2R)-2-(6-chloro-4-methyl-1H-benzimidazol-2-yl)-2-(3-fluorophenyl)ethyl]-4-(3-methyl-1,2,4-triazol-4-yl)benzamide
CID 121399195
2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
CID 42582450
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(tetrazol-1-yl)benzamide
CID 120945715
2-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-(tetrazol-1-yl)benzamide
CID 111102341
2-chloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 118736120

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide (CID 121399226) is 2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide is Cc1cc2nc([C@@H](CNC(=O)c3ccc(-n4cnnn4)cc3Cl)c3ccccc3)[nH]c2cc1C.
What is the InChIKey of 2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is LRLRFFKCDATXMA-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H22ClN7O/c1-15-10-22-23(11-16(15)2)30-24(29-22)20(17-6-4-3-5-7-17)13-27-25(34)19-9-8-18(12-21(19)26)33-14-28-31-32-33/h3-12,14,20H,13H2,1-2H3,(H,27,34)(H,29,30)/t20-/m0/s1.
What are the key properties of 2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide?
2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 471.95 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 121399226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).