1-[(5-methyl-3-pyridinyl)methyl]benzimidazole

C14H13N3 — CID 102879192

IUPAC1-[(5-methyl-3-pyridinyl)methyl]benzimidazole
SMILESCc1cncc(Cn2cnc3ccccc32)c1
InChIInChI=1S/C14H13N3/c1-11-6-12(8-15-7-11)9-17-10-16-13-4-2-3-5-14(13)17/h2-8,10H,9H2,1H3
InChIKeyVJPYMRIAPPAHEK-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.79
Rot. Bonds2

About 1-[(5-methyl-3-pyridinyl)methyl]benzimidazole

1-[(5-methyl-3-pyridinyl)methyl]benzimidazole (PubChem CID 102879192) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[(5-methyl-3-pyridinyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(5-methyl-3-pyridinyl)methyl]benzimidazole
PubChem CID102879192
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name1-[(5-methyl-3-pyridinyl)methyl]benzimidazole
SMILESCc1cncc(Cn2cnc3ccccc32)c1
InChIInChI=1S/C14H13N3/c1-11-6-12(8-15-7-11)9-17-10-16-13-4-2-3-5-14(13)17/h2-8,10H,9H2,1H3
InChIKeyVJPYMRIAPPAHEK-UHFFFAOYSA-N
XLogP2.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532
1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 830340
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CID 6498815
1-benzyl-5-methylbenzimidazole
CID 12620837
1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazole
CID 830343
1-[(3-phenylphenyl)methyl]benzimidazole
CID 53320325
5-(benzimidazol-1-ylmethyl)-N-methylpyridin-2-amine
CID 62207288
4-(benzimidazol-1-ylmethyl)-N-methylpyridin-2-amine
CID 62466505
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447048
3-(benzimidazol-1-ylmethyl)benzenecarbothioamide
CID 24703468
3,5-bis(benzimidazol-1-ylmethyl)-2,4,6-trimethylaniline
CID 156644269
1-[(2-methyltriazol-4-yl)methyl]benzimidazole
CID 166839285

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-3-pyridinyl)methyl]benzimidazole?
The IUPAC name of 1-[(5-methyl-3-pyridinyl)methyl]benzimidazole (CID 102879192) is 1-[(5-methyl-3-pyridinyl)methyl]benzimidazole.
What is the SMILES notation for 1-[(5-methyl-3-pyridinyl)methyl]benzimidazole?
The canonical SMILES for 1-[(5-methyl-3-pyridinyl)methyl]benzimidazole is Cc1cncc(Cn2cnc3ccccc32)c1.
What is the InChIKey of 1-[(5-methyl-3-pyridinyl)methyl]benzimidazole?
The InChIKey is VJPYMRIAPPAHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-11-6-12(8-15-7-11)9-17-10-16-13-4-2-3-5-14(13)17/h2-8,10H,9H2,1H3.
What are the key properties of 1-[(5-methyl-3-pyridinyl)methyl]benzimidazole?
1-[(5-methyl-3-pyridinyl)methyl]benzimidazole has a molecular weight of 223.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-3-pyridinyl)methyl]benzimidazole is sourced from PubChem (CID 102879192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).