3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one

C11H12N2O2 — CID 84672284

IUPAC3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(CO)ccc2n1C1CC1
InChIInChI=1S/C11H12N2O2/c14-6-7-1-4-10-9(5-7)12-11(15)13(10)8-2-3-8/h1,4-5,8,14H,2-3,6H2,(H,12,15)
InChIKeyBZNDHYFVUXEUGI-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.16
Rot. Bonds2

About 3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one

3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one (PubChem CID 84672284) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one
PubChem CID84672284
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(CO)ccc2n1C1CC1
InChIInChI=1S/C11H12N2O2/c14-6-7-1-4-10-9(5-7)12-11(15)13(10)8-2-3-8/h1,4-5,8,14H,2-3,6H2,(H,12,15)
InChIKeyBZNDHYFVUXEUGI-UHFFFAOYSA-N
XLogP1.16
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one
CID 67559926
4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid
CID 117404661
6-(2-amino-2-methylpropyl)-3-cyclopropyl-1H-benzimidazol-2-one
CID 117365661
3-(1,1-dioxothian-4-yl)-6-hydroxy-1H-benzimidazol-2-one
CID 117207061
6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 83415288
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
3-amino-2-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid
CID 117407033
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
CID 117365069
3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride
CID 118292535
3-cyclopropyl-5,6-difluoro-1H-benzimidazol-2-one
CID 66693552
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038
6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 70537571

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one (CID 84672284) is 3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one is O=c1[nH]c2cc(CO)ccc2n1C1CC1.
What is the InChIKey of 3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one?
The InChIKey is BZNDHYFVUXEUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-6-7-1-4-10-9(5-7)12-11(15)13(10)8-2-3-8/h1,4-5,8,14H,2-3,6H2,(H,12,15).
What are the key properties of 3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one?
3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 84672284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).