2-butyl-N-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide

C29H31N7O — CID 19792121

IUPAC2-butyl-N-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide
SMILESCCCCc1nc2cccc(C(=O)NC(C)C)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C29H31N7O/c1-4-5-13-26-31-25-12-8-11-24(29(37)30-19(2)3)27(25)36(26)18-20-14-16-21(17-15-20)22-9-6-7-10-23(22)28-32-34-35-33-28/h6-12,14-17,19H,4-5,13,18H2,1-3H3,(H,30,37)(H,32,33,34,35)
InChIKeyIQKBOXFMQQFNBS-UHFFFAOYSA-N
MW493.62 g/mol
LogP5.41
Rot. Bonds9

About 2-butyl-N-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide

2-butyl-N-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide (PubChem CID 19792121) has the molecular formula C29H31N7O and a molecular weight of 493.62 g/mol. Its IUPAC name is 2-butyl-N-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-butyl-N-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide
PubChem CID19792121
Molecular FormulaC29H31N7O
Molecular Weight493.62 g/mol
Exact Mass493.26
IUPAC Name2-butyl-N-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide
SMILESCCCCc1nc2cccc(C(=O)NC(C)C)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C29H31N7O/c1-4-5-13-26-31-25-12-8-11-24(29(37)30-19(2)3)27(25)36(26)18-20-14-16-21(17-15-20)22-9-6-7-10-23(22)28-32-34-35-33-28/h6-12,14-17,19H,4-5,13,18H2,1-3H3,(H,30,37)(H,32,33,34,35)
InChIKeyIQKBOXFMQQFNBS-UHFFFAOYSA-N
XLogP5.41
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.62
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-butyl-N-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide with MolForge

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Related Compounds

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CID 10135184
(3S,4S)-3-N-hydroxy-1-(prop-2-yn-1-yl)-4-N-(4-{[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzene)pyrrolidine-3,4-dicarboxamide
CID 10139402
(3S,4S)-3-N-{4-[(2-tert-butyl-1H-1,3-benzodiazol-1-yl)methyl]benzene}-4-N-hydroxy-1-(prop-2-yn-1-yl)pyrrolidine-3,4-dicarboxamide
CID 10277073
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2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
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2-[(2R)-1-methylpyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 25190727
2-[(2S)-1-methylpyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 25190728
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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide?
The IUPAC name of 2-butyl-N-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide (CID 19792121) is 2-butyl-N-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide.
What is the SMILES notation for 2-butyl-N-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide?
The canonical SMILES for 2-butyl-N-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide is CCCCc1nc2cccc(C(=O)NC(C)C)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-butyl-N-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide?
The InChIKey is IQKBOXFMQQFNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O/c1-4-5-13-26-31-25-12-8-11-24(29(37)30-19(2)3)27(25)36(26)18-20-14-16-21(17-15-20)22-9-6-7-10-23(22)28-32-34-35-33-28/h6-12,14-17,19H,4-5,13,18H2,1-3H3,(H,30,37)(H,32,33,34,35).
What are the key properties of 2-butyl-N-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide?
2-butyl-N-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide has a molecular weight of 493.62 g/mol, XLogP of 5.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-propan-2-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 19792121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).