[4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine

C17H16FN3 — CID 82332204

IUPAC[4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine
SMILESC=CCn1c(-c2ccc(CN)cc2)nc2cc(F)ccc21
InChIInChI=1S/C17H16FN3/c1-2-9-21-16-8-7-14(18)10-15(16)20-17(21)13-5-3-12(11-19)4-6-13/h2-8,10H,1,9,11,19H2
InChIKeyZWPNRRRCHDCZHM-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.49
Rot. Bonds4

About [4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine

[4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine (PubChem CID 82332204) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is [4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine
PubChem CID82332204
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name[4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine
SMILESC=CCn1c(-c2ccc(CN)cc2)nc2cc(F)ccc21
InChIInChI=1S/C17H16FN3/c1-2-9-21-16-8-7-14(18)10-15(16)20-17(21)13-5-3-12(11-19)4-6-13/h2-8,10H,1,9,11,19H2
InChIKeyZWPNRRRCHDCZHM-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine 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

[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine
CID 60785792
2-(4-ethylphenyl)-1-prop-2-enylbenzimidazole
CID 169224537
2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine
CID 82067903
[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332049
5-methoxy-1-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]benzimidazole
CID 134083831
[5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332052
[4-(5-methyl-1-prop-2-ynylbenzimidazol-2-yl)phenyl]methanamine
CID 82333104
2-(1-bromopropyl)-5-fluoro-1-prop-2-enylbenzimidazole
CID 82332407
[4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine
CID 60785381
[4-(1-butyl-5-methylbenzimidazol-2-yl)phenyl]methanamine
CID 82333100
3-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)aniline
CID 82334365
1-prop-2-enyl-2-pyridin-3-ylbenzimidazol-5-amine
CID 83969024

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine?
The IUPAC name of [4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine (CID 82332204) is [4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine is C=CCn1c(-c2ccc(CN)cc2)nc2cc(F)ccc21.
What is the InChIKey of [4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine?
The InChIKey is ZWPNRRRCHDCZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-2-9-21-16-8-7-14(18)10-15(16)20-17(21)13-5-3-12(11-19)4-6-13/h2-8,10H,1,9,11,19H2.
What are the key properties of [4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine?
[4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine has a molecular weight of 281.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-1-prop-2-enylbenzimidazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 82332204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).