2-(3-methylazetidin-3-yl)-1H-benzimidazole-4-carboxamide

C12H14N4O — CID 11960831

IUPAC2-(3-methylazetidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(c2nc3c(C(N)=O)cccc3[nH]2)CNC1
InChIInChI=1S/C12H14N4O/c1-12(5-14-6-12)11-15-8-4-2-3-7(10(13)17)9(8)16-11/h2-4,14H,5-6H2,1H3,(H2,13,17)(H,15,16)
InChIKeyPRYWBWSMHQZWSL-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.52
Rot. Bonds2

About 2-(3-methylazetidin-3-yl)-1H-benzimidazole-4-carboxamide

2-(3-methylazetidin-3-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 11960831) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)-1H-benzimidazole-4-carboxamide
PubChem CID11960831
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-(3-methylazetidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCC1(c2nc3c(C(N)=O)cccc3[nH]2)CNC1
InChIInChI=1S/C12H14N4O/c1-12(5-14-6-12)11-15-8-4-2-3-7(10(13)17)9(8)16-11/h2-4,14H,5-6H2,1H3,(H2,13,17)(H,15,16)
InChIKeyPRYWBWSMHQZWSL-UHFFFAOYSA-N
XLogP0.52
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(3-methylazetidin-3-yl)-1H-benzimidazole-4-carboxamide 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-(3-methylazetidin-3-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)-1H-benzimidazole-4-carboxamide (CID 11960831) is 2-(3-methylazetidin-3-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)-1H-benzimidazole-4-carboxamide is CC1(c2nc3c(C(N)=O)cccc3[nH]2)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is PRYWBWSMHQZWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-12(5-14-6-12)11-15-8-4-2-3-7(10(13)17)9(8)16-11/h2-4,14H,5-6H2,1H3,(H2,13,17)(H,15,16).
What are the key properties of 2-(3-methylazetidin-3-yl)-1H-benzimidazole-4-carboxamide?
2-(3-methylazetidin-3-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11960831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).