5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one

C15H22N4O — CID 117438743

IUPAC5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one
SMILESCN1CC(CN)CC1c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C15H22N4O/c1-17-9-10(8-16)6-13(17)11-4-5-12-14(7-11)19(3)15(20)18(12)2/h4-5,7,10,13H,6,8-9,16H2,1-3H3
InChIKeyAFSKSXQNLWIIHM-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.83
Rot. Bonds2

About 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one

5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 117438743) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one
PubChem CID117438743
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one
SMILESCN1CC(CN)CC1c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C15H22N4O/c1-17-9-10(8-16)6-13(17)11-4-5-12-14(7-11)19(3)15(20)18(12)2/h4-5,7,10,13H,6,8-9,16H2,1-3H3
InChIKeyAFSKSXQNLWIIHM-UHFFFAOYSA-N
XLogP0.83
TPSA56.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-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

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one (CID 117438743) is 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one is CN1CC(CN)CC1c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is AFSKSXQNLWIIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-17-9-10(8-16)6-13(17)11-4-5-12-14(7-11)19(3)15(20)18(12)2/h4-5,7,10,13H,6,8-9,16H2,1-3H3.
What are the key properties of 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one?
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 274.37 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 117438743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).