2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide

C15H14N4O — CID 110692469

IUPAC2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3ccncc3)cc2[nH]1
InChIInChI=1S/C15H14N4O/c1-10-18-13-3-2-12(8-14(13)19-10)15(20)17-9-11-4-6-16-7-5-11/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeySVQVVBBNROBJEF-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.20
Rot. Bonds3

About 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide

2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 110692469) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
PubChem CID110692469
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)NCc3ccncc3)cc2[nH]1
InChIInChI=1S/C15H14N4O/c1-10-18-13-3-2-12(8-14(13)19-10)15(20)17-9-11-4-6-16-7-5-11/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeySVQVVBBNROBJEF-UHFFFAOYSA-N
XLogP2.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110765531
2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
CID 594617
N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692472
2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110765518
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide
CID 110760126
2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 100787093
4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 113338678
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110785739
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
2-(2-ethyl-3H-benzimidazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110772732

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide (CID 110692469) is 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)NCc3ccncc3)cc2[nH]1.
What is the InChIKey of 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is SVQVVBBNROBJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-18-13-3-2-12(8-14(13)19-10)15(20)17-9-11-4-6-16-7-5-11/h2-8H,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide?
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110692469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).