3-methyl-5-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyridin-2-one

C15H15N3O — CID 83130157

IUPAC3-methyl-5-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyridin-2-one
SMILESCc1cc(Cc2nc3ccccc3n2C)c[nH]c1=O
InChIInChI=1S/C15H15N3O/c1-10-7-11(9-16-15(10)19)8-14-17-12-5-3-4-6-13(12)18(14)2/h3-7,9H,8H2,1-2H3,(H,16,19)
InChIKeyGSZITSDALATMAB-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.16
Rot. Bonds2

About 3-methyl-5-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyridin-2-one

3-methyl-5-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyridin-2-one (PubChem CID 83130157) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-methyl-5-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methyl-5-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyridin-2-one
PubChem CID83130157
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-methyl-5-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyridin-2-one
SMILESCc1cc(Cc2nc3ccccc3n2C)c[nH]c1=O
InChIInChI=1S/C15H15N3O/c1-10-7-11(9-16-15(10)19)8-14-17-12-5-3-4-6-13(12)18(14)2/h3-7,9H,8H2,1-2H3,(H,16,19)
InChIKeyGSZITSDALATMAB-UHFFFAOYSA-N
XLogP2.16
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 79753807
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CID 83130260
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 83130766
4-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 83129949
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 974484
2-[(6-chloropyridazin-3-yl)methyl]-1-methylbenzimidazole
CID 79753901
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
[5-chloro-2-[(1-methylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 79754308

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 3-methyl-5-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyridin-2-one (CID 83130157) is 3-methyl-5-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-methyl-5-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-methyl-5-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyridin-2-one is Cc1cc(Cc2nc3ccccc3n2C)c[nH]c1=O.
What is the InChIKey of 3-methyl-5-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyridin-2-one?
The InChIKey is GSZITSDALATMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-7-11(9-16-15(10)19)8-14-17-12-5-3-4-6-13(12)18(14)2/h3-7,9H,8H2,1-2H3,(H,16,19).
What are the key properties of 3-methyl-5-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyridin-2-one?
3-methyl-5-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyridin-2-one has a molecular weight of 253.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1-methylbenzimidazol-2-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 83130157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).