3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one

C12H14N2O — CID 67559926

IUPAC3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one
SMILESCCc1ccc2c(c1)[nH]c(=O)n2C1CC1
InChIInChI=1S/C12H14N2O/c1-2-8-3-6-11-10(7-8)13-12(15)14(11)9-4-5-9/h3,6-7,9H,2,4-5H2,1H3,(H,13,15)
InChIKeyGHFPUFWKPAUJRL-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.23
Rot. Bonds2

About 3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one

3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one (PubChem CID 67559926) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one
PubChem CID67559926
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one
SMILESCCc1ccc2c(c1)[nH]c(=O)n2C1CC1
InChIInChI=1S/C12H14N2O/c1-2-8-3-6-11-10(7-8)13-12(15)14(11)9-4-5-9/h3,6-7,9H,2,4-5H2,1H3,(H,13,15)
InChIKeyGHFPUFWKPAUJRL-UHFFFAOYSA-N
XLogP2.23
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one
CID 84672284
6-(2-amino-2-methylpropyl)-3-cyclopropyl-1H-benzimidazol-2-one
CID 117365661
4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid
CID 117404661
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
CID 117365069
3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one
CID 117207067
3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride
CID 118292535
3-(1,1-dioxothian-4-yl)-6-hydroxy-1H-benzimidazol-2-one
CID 117207061
3-cyclopropyl-5,6-difluoro-1H-benzimidazol-2-one
CID 66693552
3-amino-2-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid
CID 117407033
6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 83415288
6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380614

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one?
The IUPAC name of 3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one (CID 67559926) is 3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one is CCc1ccc2c(c1)[nH]c(=O)n2C1CC1.
What is the InChIKey of 3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one?
The InChIKey is GHFPUFWKPAUJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-8-3-6-11-10(7-8)13-12(15)14(11)9-4-5-9/h3,6-7,9H,2,4-5H2,1H3,(H,13,15).
What are the key properties of 3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one?
3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one has a molecular weight of 202.26 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one is sourced from PubChem (CID 67559926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).