(3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one

C12H14N4O — CID 70024616

IUPAC(3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one
SMILESN[C@H]1CCN(Cc2ccc3nc[nH]c3c2)C1=O
InChIInChI=1S/C12H14N4O/c13-9-3-4-16(12(9)17)6-8-1-2-10-11(5-8)15-7-14-10/h1-2,5,7,9H,3-4,6,13H2,(H,14,15)/t9-/m0/s1
InChIKeyWZLWNVYLWWZGHF-VIFPVBQESA-N
MW230.27 g/mol
LogP0.62
Rot. Bonds2

About (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one

(3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one (PubChem CID 70024616) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one
PubChem CID70024616
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name(3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one
SMILESN[C@H]1CCN(Cc2ccc3nc[nH]c3c2)C1=O
InChIInChI=1S/C12H14N4O/c13-9-3-4-16(12(9)17)6-8-1-2-10-11(5-8)15-7-14-10/h1-2,5,7,9H,3-4,6,13H2,(H,14,15)/t9-/m0/s1
InChIKeyWZLWNVYLWWZGHF-VIFPVBQESA-N
XLogP0.62
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-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 (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one (CID 70024616) is (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one is N[C@H]1CCN(Cc2ccc3nc[nH]c3c2)C1=O.
What is the InChIKey of (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one?
The InChIKey is WZLWNVYLWWZGHF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N4O/c13-9-3-4-16(12(9)17)6-8-1-2-10-11(5-8)15-7-14-10/h1-2,5,7,9H,3-4,6,13H2,(H,14,15)/t9-/m0/s1.
What are the key properties of (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one?
(3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one has a molecular weight of 230.27 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(3H-benzimidazol-5-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 70024616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).