2-[5-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-3H-benzimidazole-5-carboximidamide

C18H21N7O — CID 54250153

IUPAC2-[5-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ncn(CC(=O)N4CCCC4)c3C)[nH]c2c1
InChIInChI=1S/C18H21N7O/c1-11-16(21-10-25(11)9-15(26)24-6-2-3-7-24)18-22-13-5-4-12(17(19)20)8-14(13)23-18/h4-5,8,10H,2-3,6-7,9H2,1H3,(H3,19,20)(H,22,23)
InChIKeyQWEMUHQKYDPZCU-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.64
Rot. Bonds4

About 2-[5-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-3H-benzimidazole-5-carboximidamide

2-[5-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-3H-benzimidazole-5-carboximidamide (PubChem CID 54250153) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[5-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-[5-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-3H-benzimidazole-5-carboximidamide
PubChem CID54250153
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name2-[5-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-3H-benzimidazole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2nc(-c3ncn(CC(=O)N4CCCC4)c3C)[nH]c2c1
InChIInChI=1S/C18H21N7O/c1-11-16(21-10-25(11)9-15(26)24-6-2-3-7-24)18-22-13-5-4-12(17(19)20)8-14(13)23-18/h4-5,8,10H,2-3,6-7,9H2,1H3,(H3,19,20)(H,22,23)
InChIKeyQWEMUHQKYDPZCU-UHFFFAOYSA-N
XLogP1.64
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[5-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-3H-benzimidazole-5-carboximidamide 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-[5-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-[5-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-3H-benzimidazole-5-carboximidamide (CID 54250153) is 2-[5-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-[5-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-[5-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-3H-benzimidazole-5-carboximidamide is [H]/N=C(\N)c1ccc2nc(-c3ncn(CC(=O)N4CCCC4)c3C)[nH]c2c1.
What is the InChIKey of 2-[5-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-3H-benzimidazole-5-carboximidamide?
The InChIKey is QWEMUHQKYDPZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-11-16(21-10-25(11)9-15(26)24-6-2-3-7-24)18-22-13-5-4-12(17(19)20)8-14(13)23-18/h4-5,8,10H,2-3,6-7,9H2,1H3,(H3,19,20)(H,22,23).
What are the key properties of 2-[5-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-3H-benzimidazole-5-carboximidamide?
2-[5-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-3H-benzimidazole-5-carboximidamide has a molecular weight of 351.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)imidazol-4-yl]-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 54250153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).