(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-pyrrolidin-1-ylmethanone

C13H19N3O — CID 90640303

IUPAC(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCc1nc2c([nH]1)CC(C(=O)N1CCCC1)CC2
InChIInChI=1S/C13H19N3O/c1-9-14-11-5-4-10(8-12(11)15-9)13(17)16-6-2-3-7-16/h10H,2-8H2,1H3,(H,14,15)
InChIKeyUSUQXLFARKHHMX-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.45
Rot. Bonds1

About (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-pyrrolidin-1-ylmethanone

(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 90640303) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID90640303
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCc1nc2c([nH]1)CC(C(=O)N1CCCC1)CC2
InChIInChI=1S/C13H19N3O/c1-9-14-11-5-4-10(8-12(11)15-9)13(17)16-6-2-3-7-16/h10H,2-8H2,1H3,(H,14,15)
InChIKeyUSUQXLFARKHHMX-UHFFFAOYSA-N
XLogP1.45
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-pyrrolidin-1-ylmethanone 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 (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-pyrrolidin-1-ylmethanone (CID 90640303) is (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-pyrrolidin-1-ylmethanone is Cc1nc2c([nH]1)CC(C(=O)N1CCCC1)CC2.
What is the InChIKey of (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is USUQXLFARKHHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-14-11-5-4-10(8-12(11)15-9)13(17)16-6-2-3-7-16/h10H,2-8H2,1H3,(H,14,15).
What are the key properties of (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-pyrrolidin-1-ylmethanone?
(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 233.31 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 90640303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).