4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline

C17H18FN3 — CID 60784772

IUPAC4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
SMILESCCCn1c(Cc2ccc(N)cc2)nc2c(F)cccc21
InChIInChI=1S/C17H18FN3/c1-2-10-21-15-5-3-4-14(18)17(15)20-16(21)11-12-6-8-13(19)9-7-12/h3-9H,2,10-11,19H2,1H3
InChIKeyFUNWPADOTVVCPS-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.76
Rot. Bonds4

About 4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline

4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline (PubChem CID 60784772) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
PubChem CID60784772
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
SMILESCCCn1c(Cc2ccc(N)cc2)nc2c(F)cccc21
InChIInChI=1S/C17H18FN3/c1-2-10-21-15-5-3-4-14(18)17(15)20-16(21)11-12-6-8-13(19)9-7-12/h3-9H,2,10-11,19H2,1H3
InChIKeyFUNWPADOTVVCPS-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline 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-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80721603
4-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60785014
1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64672217
3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153970
4-[(5-methyl-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60784514
[1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81162315
2-(chloromethyl)-4-fluoro-1-pentylbenzimidazole
CID 54920921
2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-amine
CID 60784771
5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine
CID 60784924
4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 60784474
3-chloro-2-(4-fluoro-1-propylbenzimidazol-2-yl)aniline
CID 63722756
ethane;2-ethyl-4-fluoro-1-methylbenzimidazole
CID 176704050

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline?
The IUPAC name of 4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline (CID 60784772) is 4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline?
The canonical SMILES for 4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline is CCCn1c(Cc2ccc(N)cc2)nc2c(F)cccc21.
What is the InChIKey of 4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline?
The InChIKey is FUNWPADOTVVCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-2-10-21-15-5-3-4-14(18)17(15)20-16(21)11-12-6-8-13(19)9-7-12/h3-9H,2,10-11,19H2,1H3.
What are the key properties of 4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline?
4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline has a molecular weight of 283.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 60784772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).