N-[3-(1H-imidazol-1-yl)propyl]-3-(trifluoromethyl)benzamide

C14H14F3N3O — CID 13588913

IUPACN-(3-imidazol-1-ylpropyl)-3-(trifluoromethyl)benzamide
SMILESC1=CC(=CC(=C1)C(F)(F)F)C(=O)NCCCN2C=CN=C2
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)12-4-1-3-11(9-12)13(21)19-5-2-7-20-8-6-18-10-20/h1,3-4,6,8-10H,2,5,7H2,(H,19,21)
InChIKeyKMAJKZQFGGERQR-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.20
Rot. Bonds5

About N-[3-(1H-imidazol-1-yl)propyl]-3-(trifluoromethyl)benzamide

N-[3-(1H-imidazol-1-yl)propyl]-3-(trifluoromethyl)benzamide (PubChem CID 13588913) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(1H-imidazol-1-yl)propyl]-3-(trifluoromethyl)benzamide
PubChem CID13588913
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-(trifluoromethyl)benzamide
SMILESC1=CC(=CC(=C1)C(F)(F)F)C(=O)NCCCN2C=CN=C2
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)12-4-1-3-11(9-12)13(21)19-5-2-7-20-8-6-18-10-20/h1,3-4,6,8-10H,2,5,7H2,(H,19,21)
InChIKeyKMAJKZQFGGERQR-UHFFFAOYSA-N
XLogP2.20
TPSA46.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity349

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(1H-imidazol-1-yl)propyl]-3-(trifluoromethyl)benzamide 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-[3-(1H-imidazol-1-yl)propyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(1H-imidazol-1-yl)propyl]-3-(trifluoromethyl)benzamide (CID 13588913) is N-(3-imidazol-1-ylpropyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(1H-imidazol-1-yl)propyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(1H-imidazol-1-yl)propyl]-3-(trifluoromethyl)benzamide is C1=CC(=CC(=C1)C(F)(F)F)C(=O)NCCCN2C=CN=C2.
What is the InChIKey of N-[3-(1H-imidazol-1-yl)propyl]-3-(trifluoromethyl)benzamide?
The InChIKey is KMAJKZQFGGERQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)12-4-1-3-11(9-12)13(21)19-5-2-7-20-8-6-18-10-20/h1,3-4,6,8-10H,2,5,7H2,(H,19,21).
What are the key properties of N-[3-(1H-imidazol-1-yl)propyl]-3-(trifluoromethyl)benzamide?
N-[3-(1H-imidazol-1-yl)propyl]-3-(trifluoromethyl)benzamide has a molecular weight of 297.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-1-yl)propyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 13588913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).