N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]propanamide

C12H14ClN3O — CID 90431003

IUPACN-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]propanamide
SMILESCCC(=O)NCc1c(Cl)cc(C)c2nc[nH]c12
InChIInChI=1S/C12H14ClN3O/c1-3-10(17)14-5-8-9(13)4-7(2)11-12(8)16-6-15-11/h4,6H,3,5H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyQBOWFAYJWMJQED-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.55
Rot. Bonds3

About N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]propanamide

N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]propanamide (PubChem CID 90431003) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]propanamide
PubChem CID90431003
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC NameN-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]propanamide
SMILESCCC(=O)NCc1c(Cl)cc(C)c2nc[nH]c12
InChIInChI=1S/C12H14ClN3O/c1-3-10(17)14-5-8-9(13)4-7(2)11-12(8)16-6-15-11/h4,6H,3,5H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyQBOWFAYJWMJQED-UHFFFAOYSA-N
XLogP2.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]propanamide 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 N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]propanamide?
The IUPAC name of N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]propanamide (CID 90431003) is N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]propanamide?
The canonical SMILES for N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]propanamide is CCC(=O)NCc1c(Cl)cc(C)c2nc[nH]c12.
What is the InChIKey of N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]propanamide?
The InChIKey is QBOWFAYJWMJQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-3-10(17)14-5-8-9(13)4-7(2)11-12(8)16-6-15-11/h4,6H,3,5H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]propanamide?
N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]propanamide has a molecular weight of 251.72 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-7-methyl-3H-benzimidazol-4-yl)methyl]propanamide is sourced from PubChem (CID 90431003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).