1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide

C21H17BrN4O — CID 6617180

IUPAC1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCc3ccccn3)ccc2n1-c1ccc(Br)cc1
InChIInChI=1S/C21H17BrN4O/c1-14-25-19-12-15(21(27)24-13-17-4-2-3-11-23-17)5-10-20(19)26(14)18-8-6-16(22)7-9-18/h2-12H,13H2,1H3,(H,24,27)
InChIKeyRANMQIREPVDMGD-UHFFFAOYSA-N
MW421.30 g/mol
LogP4.42
Rot. Bonds4

About 1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide

1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 6617180) has the molecular formula C21H17BrN4O and a molecular weight of 421.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID6617180
Molecular FormulaC21H17BrN4O
Molecular Weight421.30 g/mol
Exact Mass420.06
IUPAC Name1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCc3ccccn3)ccc2n1-c1ccc(Br)cc1
InChIInChI=1S/C21H17BrN4O/c1-14-25-19-12-15(21(27)24-13-17-4-2-3-11-23-17)5-10-20(19)26(14)18-8-6-16(22)7-9-18/h2-12H,13H2,1H3,(H,24,27)
InChIKeyRANMQIREPVDMGD-UHFFFAOYSA-N
XLogP4.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.30
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46653202
4-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 20916068
3-(benzenesulfonyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 18680806
4-(2-methyl-4-oxo-6-prop-2-enoxyquinazolin-3-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 29135509
3-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 110469148
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 120948721
N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
CID 3574227
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 91794913
1-ethyl-2,3-dimethyl-N-(pyridin-2-ylmethyl)indole-5-carboxamide
CID 35524105
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
CID 120652968
2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide
CID 46541611
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 55505787

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide (CID 6617180) is 1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide is Cc1nc2cc(C(=O)NCc3ccccn3)ccc2n1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is RANMQIREPVDMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O/c1-14-25-19-12-15(21(27)24-13-17-4-2-3-11-23-17)5-10-20(19)26(14)18-8-6-16(22)7-9-18/h2-12H,13H2,1H3,(H,24,27).
What are the key properties of 1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide?
1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 421.30 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 6617180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).