2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole

C16H22FN3 — CID 82336282

IUPAC2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole
SMILESCCC(c1nc2ccc(F)cc2[nH]1)N1CCCCCC1
InChIInChI=1S/C16H22FN3/c1-2-15(20-9-5-3-4-6-10-20)16-18-13-8-7-12(17)11-14(13)19-16/h7-8,11,15H,2-6,9-10H2,1H3,(H,18,19)
InChIKeyFZOAFQATTCZFOD-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.03
Rot. Bonds3

About 2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole

2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole (PubChem CID 82336282) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole
PubChem CID82336282
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole
SMILESCCC(c1nc2ccc(F)cc2[nH]1)N1CCCCCC1
InChIInChI=1S/C16H22FN3/c1-2-15(20-9-5-3-4-6-10-20)16-18-13-8-7-12(17)11-14(13)19-16/h7-8,11,15H,2-6,9-10H2,1H3,(H,18,19)
InChIKeyFZOAFQATTCZFOD-UHFFFAOYSA-N
XLogP4.03
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole 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-[1-(azepan-1-yl)propyl]-6-chloro-1H-benzimidazole
CID 82336262
4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine
CID 82336375
1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542
4-[1-(6-fluoro-1H-benzimidazol-2-yl)-2-methylpropyl]morpholine
CID 82336517
(1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 6927588
6-fluoro-2-pyrrolidin-1-yl-1H-benzimidazole
CID 142734957
4-[1-(1H-benzimidazol-2-yl)propyl]morpholine
CID 82336424
2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole
CID 116682100
N-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine
CID 82336306
2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol
CID 82336298
1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine
CID 82336511
2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103295091

Frequently Asked Questions

What is the IUPAC name of 2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole (CID 82336282) is 2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole is CCC(c1nc2ccc(F)cc2[nH]1)N1CCCCCC1.
What is the InChIKey of 2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole?
The InChIKey is FZOAFQATTCZFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-2-15(20-9-5-3-4-6-10-20)16-18-13-8-7-12(17)11-14(13)19-16/h7-8,11,15H,2-6,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole?
2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole has a molecular weight of 275.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 82336282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).