4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one

C12H14N2O2 — CID 117208534

IUPAC4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one
SMILESCc1cccc2[nH]c(=O)n(C3CCOC3)c12
InChIInChI=1S/C12H14N2O2/c1-8-3-2-4-10-11(8)14(12(15)13-10)9-5-6-16-7-9/h2-4,9H,5-7H2,1H3,(H,13,15)
InChIKeyDVTFNRNSUWKHDS-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.60
Rot. Bonds1

About 4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one

4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one (PubChem CID 117208534) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one
PubChem CID117208534
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one
SMILESCc1cccc2[nH]c(=O)n(C3CCOC3)c12
InChIInChI=1S/C12H14N2O2/c1-8-3-2-4-10-11(8)14(12(15)13-10)9-5-6-16-7-9/h2-4,9H,5-7H2,1H3,(H,13,15)
InChIKeyDVTFNRNSUWKHDS-UHFFFAOYSA-N
XLogP1.60
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-3-(oxolan-3-yl)-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

4-hydroxy-3-(oxan-3-yl)-1H-benzimidazol-2-one
CID 117208712
4-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380690
3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one
CID 117208577
3-(oxolan-3-yl)-1H-quinazoline-2,4-dione
CID 117260899
4-fluoro-3-[(3R)-3-methyloxan-4-yl]-1H-benzimidazol-2-one
CID 178002448
4-chloro-3-(oxolan-3-yl)-1H-benzimidazole-2-thione
CID 80713542
7-chloro-3-(oxolan-3-yl)-1H-benzimidazol-2-one
CID 117206130
4-bromo-3-cyclopropyl-1H-benzimidazol-2-one
CID 83843837
5-hydroxy-3-(oxan-4-yl)-1H-quinazoline-2,4-dione
CID 117260961
8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118502860
3-(oxolan-3-yl)-2-sulfanylidene-1H-quinazolin-4-one
CID 80712974
7-methyl-2-oxo-3H-benzimidazole-1-carboxylic acid
CID 154197959

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one?
The IUPAC name of 4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one (CID 117208534) is 4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one is Cc1cccc2[nH]c(=O)n(C3CCOC3)c12.
What is the InChIKey of 4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one?
The InChIKey is DVTFNRNSUWKHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-3-2-4-10-11(8)14(12(15)13-10)9-5-6-16-7-9/h2-4,9H,5-7H2,1H3,(H,13,15).
What are the key properties of 4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one?
4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(oxolan-3-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117208534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).