(1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone

C14H11N3O — CID 74890600

IUPAC(1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone
SMILESCn1c(C(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C14H11N3O/c1-17-12-7-3-2-6-11(12)16-14(17)13(18)10-5-4-8-15-9-10/h2-9H,1H3
InChIKeyMFYHWPBHQHEALM-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.20
Rot. Bonds2

About (1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone

(1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone (PubChem CID 74890600) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is (1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone
PubChem CID74890600
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name(1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone
SMILESCn1c(C(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C14H11N3O/c1-17-12-7-3-2-6-11(12)16-14(17)13(18)10-5-4-8-15-9-10/h2-9H,1H3
InChIKeyMFYHWPBHQHEALM-UHFFFAOYSA-N
XLogP2.20
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(pyridine-3-carbonyl)benzimidazol-2-yl]ethanone
CID 19256635
sodium 1-methylbenzimidazole-2-carboxylate
CID 131637939
(1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone
CID 110469012
(1-ethylbenzimidazol-2-yl)-phenylmethanone
CID 67579558
(Z)-[(1-methylbenzimidazol-2-yl)-phenylmethylidene]hydrazine
CID 177414906
N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide
CID 3968667
N,1-dimethyl-N-phenylbenzimidazole-2-carboxamide
CID 110469037
1-(1-methylbenzimidazol-2-yl)pentane-1,3-dione
CID 43114701
N-(4-hydroxyphenyl)-1-methylbenzimidazole-2-carboxamide
CID 110469047
1-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea
CID 134056803
N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963912
(1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326816

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone?
The IUPAC name of (1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone (CID 74890600) is (1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone is Cn1c(C(=O)c2cccnc2)nc2ccccc21.
What is the InChIKey of (1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone?
The InChIKey is MFYHWPBHQHEALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-17-12-7-3-2-6-11(12)16-14(17)13(18)10-5-4-8-15-9-10/h2-9H,1H3.
What are the key properties of (1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone?
(1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone has a molecular weight of 237.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-2-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 74890600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).