3-ethyl-4,7-dimethyl-1H-benzimidazol-2-one

C11H14N2O — CID 141284807

IUPAC3-ethyl-4,7-dimethyl-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2c(C)ccc(C)c21
InChIInChI=1S/C11H14N2O/c1-4-13-10-8(3)6-5-7(2)9(10)12-11(13)14/h5-6H,4H2,1-3H3,(H,12,14)
InChIKeyGGCOIQNBXUOTCB-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.97
Rot. Bonds1

About 3-ethyl-4,7-dimethyl-1H-benzimidazol-2-one

3-ethyl-4,7-dimethyl-1H-benzimidazol-2-one (PubChem CID 141284807) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-ethyl-4,7-dimethyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-ethyl-4,7-dimethyl-1H-benzimidazol-2-one
PubChem CID141284807
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-ethyl-4,7-dimethyl-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2c(C)ccc(C)c21
InChIInChI=1S/C11H14N2O/c1-4-13-10-8(3)6-5-7(2)9(10)12-11(13)14/h5-6H,4H2,1-3H3,(H,12,14)
InChIKeyGGCOIQNBXUOTCB-UHFFFAOYSA-N
XLogP1.97
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-5,6-dimethyl-1H-benzimidazol-2-one
CID 45077919
3-(2,2-dimethylpropyl)-7-methyl-1H-benzimidazol-2-one
CID 117206757
3-ethyl-4-methoxy-1H-benzimidazol-2-one
CID 117209129
6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione
CID 7080834
8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione
CID 114588912
3-ethyl-5,6-dimethyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 95915738
ethane;3-ethyl-1H-imidazo[4,5-b]pyridin-2-one
CID 91018221
8-(3-bromo-4-methylphenyl)-3-ethyl-7H-purine-2,6-dione
CID 115877858
3-ethyl-8-fluoro-2,4-dioxo-1H-quinazoline-7-carbaldehyde
CID 168957479
7-methyl-3-[(3-methylphenyl)methyl]-1H-benzimidazol-2-one
CID 117206645
3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one
CID 117206721
3-[(4-hydroxyphenyl)methyl]-7-methyl-1H-benzimidazol-2-one
CID 117206724

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,7-dimethyl-1H-benzimidazol-2-one?
The IUPAC name of 3-ethyl-4,7-dimethyl-1H-benzimidazol-2-one (CID 141284807) is 3-ethyl-4,7-dimethyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-ethyl-4,7-dimethyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-ethyl-4,7-dimethyl-1H-benzimidazol-2-one is CCn1c(=O)[nH]c2c(C)ccc(C)c21.
What is the InChIKey of 3-ethyl-4,7-dimethyl-1H-benzimidazol-2-one?
The InChIKey is GGCOIQNBXUOTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-13-10-8(3)6-5-7(2)9(10)12-11(13)14/h5-6H,4H2,1-3H3,(H,12,14).
What are the key properties of 3-ethyl-4,7-dimethyl-1H-benzimidazol-2-one?
3-ethyl-4,7-dimethyl-1H-benzimidazol-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,7-dimethyl-1H-benzimidazol-2-one is sourced from PubChem (CID 141284807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).