5-(1-ethylbenzimidazol-2-yl)-1,3-dimethylpyridin-2-one

C16H17N3O — CID 142740590

IUPAC5-(1-ethylbenzimidazol-2-yl)-1,3-dimethylpyridin-2-one
SMILESCCn1c(-c2cc(C)c(=O)n(C)c2)nc2ccccc21
InChIInChI=1S/C16H17N3O/c1-4-19-14-8-6-5-7-13(14)17-15(19)12-9-11(2)16(20)18(3)10-12/h5-10H,4H2,1-3H3
InChIKeyDFMWCEHAKBHMRL-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.73
Rot. Bonds2

About 5-(1-ethylbenzimidazol-2-yl)-1,3-dimethylpyridin-2-one

5-(1-ethylbenzimidazol-2-yl)-1,3-dimethylpyridin-2-one (PubChem CID 142740590) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-(1-ethylbenzimidazol-2-yl)-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-(1-ethylbenzimidazol-2-yl)-1,3-dimethylpyridin-2-one
PubChem CID142740590
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name5-(1-ethylbenzimidazol-2-yl)-1,3-dimethylpyridin-2-one
SMILESCCn1c(-c2cc(C)c(=O)n(C)c2)nc2ccccc21
InChIInChI=1S/C16H17N3O/c1-4-19-14-8-6-5-7-13(14)17-15(19)12-9-11(2)16(20)18(3)10-12/h5-10H,4H2,1-3H3
InChIKeyDFMWCEHAKBHMRL-UHFFFAOYSA-N
XLogP2.73
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[(2E)-2-ethenylpenta-2,4-dienyl]benzimidazol-2-yl]-1,3-dimethylpyridin-2-one
CID 142409674
1,3-dimethyl-5-[1-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]benzimidazol-2-yl]pyridin-2-one
CID 126619697
5-[1-[(2S)-1-hydroxypropan-2-yl]benzimidazol-2-yl]-1,3-dimethylpyridin-2-one
CID 142740601
5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one
CID 122549756
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
2-methylpropyl 2-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-ethylbenzimidazol-5-yl]methylamino]-3-hydroxybutanoate
CID 134248377
2,2-dimethylpropyl 2-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-ethylbenzimidazol-5-yl]methylamino]-3-hydroxybutanoate
CID 146315014
4-(1-ethylbenzimidazol-2-yl)-3-methylphenol
CID 136750847
4-(1-ethylbenzimidazol-2-yl)-2-fluoroaniline
CID 63187870
4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol
CID 135574032
1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 171405751
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylbenzimidazol-2-yl)-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-(1-ethylbenzimidazol-2-yl)-1,3-dimethylpyridin-2-one (CID 142740590) is 5-(1-ethylbenzimidazol-2-yl)-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-(1-ethylbenzimidazol-2-yl)-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-(1-ethylbenzimidazol-2-yl)-1,3-dimethylpyridin-2-one is CCn1c(-c2cc(C)c(=O)n(C)c2)nc2ccccc21.
What is the InChIKey of 5-(1-ethylbenzimidazol-2-yl)-1,3-dimethylpyridin-2-one?
The InChIKey is DFMWCEHAKBHMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-4-19-14-8-6-5-7-13(14)17-15(19)12-9-11(2)16(20)18(3)10-12/h5-10H,4H2,1-3H3.
What are the key properties of 5-(1-ethylbenzimidazol-2-yl)-1,3-dimethylpyridin-2-one?
5-(1-ethylbenzimidazol-2-yl)-1,3-dimethylpyridin-2-one has a molecular weight of 267.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylbenzimidazol-2-yl)-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 142740590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).