N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide

C14H19N3O — CID 2140210

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H19N3O/c1-10(2)14(18)15-9-5-8-13-16-11-6-3-4-7-12(11)17-13/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyYUBZHVRKTFITEW-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.27
Rot. Bonds5

About N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide

N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide (PubChem CID 2140210) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
PubChem CID2140210
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H19N3O/c1-10(2)14(18)15-9-5-8-13-16-11-6-3-4-7-12(11)17-13/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyYUBZHVRKTFITEW-UHFFFAOYSA-N
XLogP2.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide 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-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide
CID 134032843
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 34708595
2-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669473
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3-methylphenoxy)propanamide
CID 134032853
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 24612830
N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 18783633
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 122564722
1-[3-(1H-benzimidazol-2-yl)propyl]-2-methyl-3-propan-2-ylguanidine
CID 111123901

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide (CID 2140210) is N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide is CC(C)C(=O)NCCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide?
The InChIKey is YUBZHVRKTFITEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)14(18)15-9-5-8-13-16-11-6-3-4-7-12(11)17-13/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide has a molecular weight of 245.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide is sourced from PubChem (CID 2140210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).