1-(2-methyl-1-phenylbenzimidazol-5-yl)pyridin-4-one

C19H15N3O — CID 2999009

IUPAC1-(2-methyl-1-phenylbenzimidazol-5-yl)pyridin-4-one
SMILESCc1nc2cc(-n3ccc(=O)cc3)ccc2n1-c1ccccc1
InChIInChI=1S/C19H15N3O/c1-14-20-18-13-16(21-11-9-17(23)10-12-21)7-8-19(18)22(14)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyNJTISXILIPNLNX-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.48
Rot. Bonds2

About 1-(2-methyl-1-phenylbenzimidazol-5-yl)pyridin-4-one

1-(2-methyl-1-phenylbenzimidazol-5-yl)pyridin-4-one (PubChem CID 2999009) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(2-methyl-1-phenylbenzimidazol-5-yl)pyridin-4-one.

Molecular Properties

Compound Name1-(2-methyl-1-phenylbenzimidazol-5-yl)pyridin-4-one
PubChem CID2999009
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name1-(2-methyl-1-phenylbenzimidazol-5-yl)pyridin-4-one
SMILESCc1nc2cc(-n3ccc(=O)cc3)ccc2n1-c1ccccc1
InChIInChI=1S/C19H15N3O/c1-14-20-18-13-16(21-11-9-17(23)10-12-21)7-8-19(18)22(14)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyNJTISXILIPNLNX-UHFFFAOYSA-N
XLogP3.48
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-phenylbenzimidazol-5-yl)pyridin-4-one?
The IUPAC name of 1-(2-methyl-1-phenylbenzimidazol-5-yl)pyridin-4-one (CID 2999009) is 1-(2-methyl-1-phenylbenzimidazol-5-yl)pyridin-4-one.
What is the SMILES notation for 1-(2-methyl-1-phenylbenzimidazol-5-yl)pyridin-4-one?
The canonical SMILES for 1-(2-methyl-1-phenylbenzimidazol-5-yl)pyridin-4-one is Cc1nc2cc(-n3ccc(=O)cc3)ccc2n1-c1ccccc1.
What is the InChIKey of 1-(2-methyl-1-phenylbenzimidazol-5-yl)pyridin-4-one?
The InChIKey is NJTISXILIPNLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-14-20-18-13-16(21-11-9-17(23)10-12-21)7-8-19(18)22(14)15-5-3-2-4-6-15/h2-13H,1H3.
What are the key properties of 1-(2-methyl-1-phenylbenzimidazol-5-yl)pyridin-4-one?
1-(2-methyl-1-phenylbenzimidazol-5-yl)pyridin-4-one has a molecular weight of 301.35 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-phenylbenzimidazol-5-yl)pyridin-4-one is sourced from PubChem (CID 2999009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).