1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one

C16H14F2N2O — CID 115576479

IUPAC1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one
SMILESCCn1c(=O)n(Cc2ccc(F)c(F)c2)c2ccccc21
InChIInChI=1S/C16H14F2N2O/c1-2-19-14-5-3-4-6-15(14)20(16(19)21)10-11-7-8-12(17)13(18)9-11/h3-9H,2,10H2,1H3
InChIKeyQBDGREVGMPTQLG-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.15
Rot. Bonds3

About 1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one

1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one (PubChem CID 115576479) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one
PubChem CID115576479
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one
SMILESCCn1c(=O)n(Cc2ccc(F)c(F)c2)c2ccccc21
InChIInChI=1S/C16H14F2N2O/c1-2-19-14-5-3-4-6-15(14)20(16(19)21)10-11-7-8-12(17)13(18)9-11/h3-9H,2,10H2,1H3
InChIKeyQBDGREVGMPTQLG-UHFFFAOYSA-N
XLogP3.15
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
3-[(3-ethyl-2-oxobenzimidazol-1-yl)methyl]benzonitrile
CID 115576478
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 55950818
1-[(4-bromo-2-fluorophenyl)methyl]-3-ethylbenzimidazol-2-one
CID 115575620
1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole
CID 115571780
1-ethyl-3-(methoxymethyl)benzimidazol-2-one
CID 116621234
1-[(3,4-difluorophenyl)methyl]-3-methoxy-4-phenylquinolin-2-one
CID 142438213
N-(3,4-difluorophenyl)-1,3-diethyl-2-oxobenzimidazole-5-sulfonamide
CID 17252079
1,3-dibenzyl-5-chlorobenzimidazol-2-one
CID 139081600
1-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331543
2-(3-ethyl-2-oxobenzimidazol-1-yl)acetaldehyde
CID 58710654
ethyl 2-[10-[(3,4-difluorophenyl)methyl]-3,4-dioxo-[1,2,4]triazino[4,3-a]benzimidazol-2-yl]acetate
CID 10905752

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one (CID 115576479) is 1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one is CCn1c(=O)n(Cc2ccc(F)c(F)c2)c2ccccc21.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one?
The InChIKey is QBDGREVGMPTQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c1-2-19-14-5-3-4-6-15(14)20(16(19)21)10-11-7-8-12(17)13(18)9-11/h3-9H,2,10H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one?
1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one has a molecular weight of 288.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one is sourced from PubChem (CID 115576479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).