5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine

C12H15N3O — CID 80714219

IUPAC5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2C1CCOC1
InChIInChI=1S/C12H15N3O/c1-8-2-3-11-10(6-8)14-12(13)15(11)9-4-5-16-7-9/h2-3,6,9H,4-5,7H2,1H3,(H2,13,14)
InChIKeyUQSJSERTVXEHMN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.89
Rot. Bonds1

About 5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine

5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine (PubChem CID 80714219) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine
PubChem CID80714219
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2C1CCOC1
InChIInChI=1S/C12H15N3O/c1-8-2-3-11-10(6-8)14-12(13)15(11)9-4-5-16-7-9/h2-3,6,9H,4-5,7H2,1H3,(H2,13,14)
InChIKeyUQSJSERTVXEHMN-UHFFFAOYSA-N
XLogP1.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine?
The IUPAC name of 5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine (CID 80714219) is 5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine.
What is the SMILES notation for 5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine?
The canonical SMILES for 5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine is Cc1ccc2c(c1)nc(N)n2C1CCOC1.
What is the InChIKey of 5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine?
The InChIKey is UQSJSERTVXEHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-2-3-11-10(6-8)14-12(13)15(11)9-4-5-16-7-9/h2-3,6,9H,4-5,7H2,1H3,(H2,13,14).
What are the key properties of 5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine?
5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine has a molecular weight of 217.27 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine is sourced from PubChem (CID 80714219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).