4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide

C19H18FN3O — CID 751224

IUPAC4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
SMILESC=CCn1c([C@H](C)NC(=O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C19H18FN3O/c1-3-12-23-17-7-5-4-6-16(17)22-18(23)13(2)21-19(24)14-8-10-15(20)11-9-14/h3-11,13H,1,12H2,2H3,(H,21,24)/t13-/m0/s1
InChIKeyAZLLCIQRBNXFIK-ZDUSSCGKSA-N
MW323.37 g/mol
LogP3.85
Rot. Bonds5

About 4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide

4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 751224) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID751224
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
SMILESC=CCn1c([C@H](C)NC(=O)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C19H18FN3O/c1-3-12-23-17-7-5-4-6-16(17)22-18(23)13(2)21-19(24)14-8-10-15(20)11-9-14/h3-11,13H,1,12H2,2H3,(H,21,24)/t13-/m0/s1
InChIKeyAZLLCIQRBNXFIK-ZDUSSCGKSA-N
XLogP3.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]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 4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide (CID 751224) is 4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide is C=CCn1c([C@H](C)NC(=O)c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is AZLLCIQRBNXFIK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-3-12-23-17-7-5-4-6-16(17)22-18(23)13(2)21-19(24)14-8-10-15(20)11-9-14/h3-11,13H,1,12H2,2H3,(H,21,24)/t13-/m0/s1.
What are the key properties of 4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide?
4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 323.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 751224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).