N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide

C17H16FN3O — CID 110785494

IUPACN-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C17H16FN3O/c18-14-5-1-12(2-6-14)4-8-17(22)19-10-13-3-7-15-16(9-13)21-11-20-15/h1-3,5-7,9,11H,4,8,10H2,(H,19,22)(H,20,21)
InChIKeyWCNGVODLNSRFHG-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.95
Rot. Bonds5

About N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide

N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide (PubChem CID 110785494) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
PubChem CID110785494
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
SMILESO=C(CCc1ccc(F)cc1)NCc1ccc2nc[nH]c2c1
InChIInChI=1S/C17H16FN3O/c18-14-5-1-12(2-6-14)4-8-17(22)19-10-13-3-7-15-16(9-13)21-11-20-15/h1-3,5-7,9,11H,4,8,10H2,(H,19,22)(H,20,21)
InChIKeyWCNGVODLNSRFHG-UHFFFAOYSA-N
XLogP2.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)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

2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860
N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
CID 146094481
N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide
CID 110785509
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide
CID 110785506
N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide
CID 110791317
2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide
CID 110772459
4-[2-(3H-benzimidazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 115163730
N-[2-(3H-benzimidazol-5-ylmethylamino)-2-oxoethyl]benzamide
CID 110794693
(4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide
CID 126453026
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide
CID 115156392

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide (CID 110785494) is N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide is O=C(CCc1ccc(F)cc1)NCc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide?
The InChIKey is WCNGVODLNSRFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c18-14-5-1-12(2-6-14)4-8-17(22)19-10-13-3-7-15-16(9-13)21-11-20-15/h1-3,5-7,9,11H,4,8,10H2,(H,19,22)(H,20,21).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide?
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide has a molecular weight of 297.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 110785494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).