6-bromo-1,3-dimethyl-2-oxo-N-[1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]benzimidazole-5-carboxamide

C19H18BrN7O2 — CID 166391695

IUPAC6-bromo-1,3-dimethyl-2-oxo-N-[1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]benzimidazole-5-carboxamide
SMILESCC(NC(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C19H18BrN7O2/c1-10(11-4-6-12(7-5-11)17-22-24-25-23-17)21-18(28)13-8-15-16(9-14(13)20)27(3)19(29)26(15)2/h4-10H,1-3H3,(H,21,28)(H,22,23,24,25)
InChIKeyOHPWZZKYJXQOIS-UHFFFAOYSA-N
MW456.30 g/mol
LogP2.31
Rot. Bonds4

About 6-bromo-1,3-dimethyl-2-oxo-N-[1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]benzimidazole-5-carboxamide

6-bromo-1,3-dimethyl-2-oxo-N-[1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]benzimidazole-5-carboxamide (PubChem CID 166391695) has the molecular formula C19H18BrN7O2 and a molecular weight of 456.30 g/mol. Its IUPAC name is 6-bromo-1,3-dimethyl-2-oxo-N-[1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name6-bromo-1,3-dimethyl-2-oxo-N-[1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]benzimidazole-5-carboxamide
PubChem CID166391695
Molecular FormulaC19H18BrN7O2
Molecular Weight456.30 g/mol
Exact Mass455.07
IUPAC Name6-bromo-1,3-dimethyl-2-oxo-N-[1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]benzimidazole-5-carboxamide
SMILESCC(NC(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C19H18BrN7O2/c1-10(11-4-6-12(7-5-11)17-22-24-25-23-17)21-18(28)13-8-15-16(9-14(13)20)27(3)19(29)26(15)2/h4-10H,1-3H3,(H,21,28)(H,22,23,24,25)
InChIKeyOHPWZZKYJXQOIS-UHFFFAOYSA-N
XLogP2.31
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-bromo-1,3-dimethyl-2-oxo-N-[1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]benzimidazole-5-carboxamide with MolForge

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Related Compounds

methyl 6-[[(1S)-1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]carbamoyl]pyrimidine-4-carboxylate
CID 58916770
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CID 166357589
N-(2-bromo-4-iodophenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 155194195
N-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
CID 74250699
5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide
CID 166324368
4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720188
2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 114024530
N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide
CID 31354794
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
4-N-[(1S)-1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]-6-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrimidine-4,6-dicarboxamide
CID 58916816
2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 61261161
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide
CID 103933543

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,3-dimethyl-2-oxo-N-[1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]benzimidazole-5-carboxamide?
The IUPAC name of 6-bromo-1,3-dimethyl-2-oxo-N-[1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]benzimidazole-5-carboxamide (CID 166391695) is 6-bromo-1,3-dimethyl-2-oxo-N-[1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 6-bromo-1,3-dimethyl-2-oxo-N-[1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]benzimidazole-5-carboxamide?
The canonical SMILES for 6-bromo-1,3-dimethyl-2-oxo-N-[1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]benzimidazole-5-carboxamide is CC(NC(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 6-bromo-1,3-dimethyl-2-oxo-N-[1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]benzimidazole-5-carboxamide?
The InChIKey is OHPWZZKYJXQOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN7O2/c1-10(11-4-6-12(7-5-11)17-22-24-25-23-17)21-18(28)13-8-15-16(9-14(13)20)27(3)19(29)26(15)2/h4-10H,1-3H3,(H,21,28)(H,22,23,24,25).
What are the key properties of 6-bromo-1,3-dimethyl-2-oxo-N-[1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]benzimidazole-5-carboxamide?
6-bromo-1,3-dimethyl-2-oxo-N-[1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]benzimidazole-5-carboxamide has a molecular weight of 456.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,3-dimethyl-2-oxo-N-[1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 166391695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).