1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one

C14H18N2O2 — CID 79395758

IUPAC1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)C(C)C)c2ccccc21
InChIInChI=1S/C14H18N2O2/c1-4-15-11-7-5-6-8-12(11)16(14(15)18)9-13(17)10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyZTJAKJCNZZCAPL-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.05
Rot. Bonds4

About 1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one

1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one (PubChem CID 79395758) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one
PubChem CID79395758
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one
SMILESCCn1c(=O)n(CC(=O)C(C)C)c2ccccc21
InChIInChI=1S/C14H18N2O2/c1-4-15-11-7-5-6-8-12(11)16(14(15)18)9-13(17)10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyZTJAKJCNZZCAPL-UHFFFAOYSA-N
XLogP2.05
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 119360644
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 47060824
N-cyclopropyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 17445359
1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one
CID 116621288
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 51648188
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 51648189
1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 62025267
1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 119374924
N-butyl-N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 134031593
3-methyl-1-(2-methylindol-1-yl)butan-2-one
CID 12795650
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498
1-ethyl-3-(methoxymethyl)benzimidazol-2-one
CID 116621234

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one (CID 79395758) is 1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one is CCn1c(=O)n(CC(=O)C(C)C)c2ccccc21.
What is the InChIKey of 1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one?
The InChIKey is ZTJAKJCNZZCAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-15-11-7-5-6-8-12(11)16(14(15)18)9-13(17)10(2)3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one?
1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one is sourced from PubChem (CID 79395758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).