3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide

C14H20N4O — CID 120827403

IUPAC3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
SMILESCNC(C)CNC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C14H20N4O/c1-11(15-2)9-16-14(19)7-8-18-10-17-12-5-3-4-6-13(12)18/h3-6,10-11,15H,7-9H2,1-2H3,(H,16,19)
InChIKeySVTGSRGVIPXARV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.15
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide

3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide (PubChem CID 120827403) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
PubChem CID120827403
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
SMILESCNC(C)CNC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C14H20N4O/c1-11(15-2)9-16-14(19)7-8-18-10-17-12-5-3-4-6-13(12)18/h3-6,10-11,15H,7-9H2,1-2H3,(H,16,19)
InChIKeySVTGSRGVIPXARV-UHFFFAOYSA-N
XLogP1.15
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanoic acid
CID 66167640
3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide
CID 107362610
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111520132
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
methyl 2-[3-(benzimidazol-1-yl)propanoylamino]propanoate
CID 60675736
3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide
CID 97084541
3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114475
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide
CID 131919105
3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 34166297
3-(benzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 60554892

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide (CID 120827403) is 3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide is CNC(C)CNC(=O)CCn1cnc2ccccc21.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide?
The InChIKey is SVTGSRGVIPXARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(15-2)9-16-14(19)7-8-18-10-17-12-5-3-4-6-13(12)18/h3-6,10-11,15H,7-9H2,1-2H3,(H,16,19).
What are the key properties of 3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide?
3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide has a molecular weight of 260.34 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide is sourced from PubChem (CID 120827403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).