N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide

C20H15BrN4O — CID 27649715

IUPACN-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C20H15BrN4O/c1-12-15(9-10-16(22-12)13-5-4-6-14(21)11-13)19(26)25-20-23-17-7-2-3-8-18(17)24-20/h2-11H,1H3,(H2,23,24,25,26)
InChIKeySTPDTQSDCCKUKT-UHFFFAOYSA-N
MW407.27 g/mol
LogP4.95
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide

N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide (PubChem CID 27649715) has the molecular formula C20H15BrN4O and a molecular weight of 407.27 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
PubChem CID27649715
Molecular FormulaC20H15BrN4O
Molecular Weight407.27 g/mol
Exact Mass406.04
IUPAC NameN-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C20H15BrN4O/c1-12-15(9-10-16(22-12)13-5-4-6-14(21)11-13)19(26)25-20-23-17-7-2-3-8-18(17)24-20/h2-11H,1H3,(H2,23,24,25,26)
InChIKeySTPDTQSDCCKUKT-UHFFFAOYSA-N
XLogP4.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide
CID 51229009
N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide
CID 78987804
6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
CID 30796992
N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide
CID 106505887
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
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CID 27005490
6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 27286760
6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 110887368
N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
CID 2082902
6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide
CID 27018737
6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide
CID 27285916
6-(3-bromophenyl)-2-methyl-N-(4-oxoquinazolin-3-yl)pyridine-3-carboxamide
CID 134061355

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide (CID 27649715) is N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide is Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide?
The InChIKey is STPDTQSDCCKUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O/c1-12-15(9-10-16(22-12)13-5-4-6-14(21)11-13)19(26)25-20-23-17-7-2-3-8-18(17)24-20/h2-11H,1H3,(H2,23,24,25,26).
What are the key properties of N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide?
N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide has a molecular weight of 407.27 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 27649715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).