2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole

C22H26FN3 — CID 18885276

IUPAC2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole
SMILESCC(c1nc2ccccc2n1Cc1ccc(F)cc1)N1CCCCCC1
InChIInChI=1S/C22H26FN3/c1-17(25-14-6-2-3-7-15-25)22-24-20-8-4-5-9-21(20)26(22)16-18-10-12-19(23)13-11-18/h4-5,8-13,17H,2-3,6-7,14-16H2,1H3
InChIKeyAIPACKRNYVKMSK-UHFFFAOYSA-N
MW351.47 g/mol
LogP5.16
Rot. Bonds4

About 2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole

2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole (PubChem CID 18885276) has the molecular formula C22H26FN3 and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole
PubChem CID18885276
Molecular FormulaC22H26FN3
Molecular Weight351.47 g/mol
Exact Mass351.21
IUPAC Name2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole
SMILESCC(c1nc2ccccc2n1Cc1ccc(F)cc1)N1CCCCCC1
InChIInChI=1S/C22H26FN3/c1-17(25-14-6-2-3-7-15-25)22-24-20-8-4-5-9-21(20)26(22)16-18-10-12-19(23)13-11-18/h4-5,8-13,17H,2-3,6-7,14-16H2,1H3
InChIKeyAIPACKRNYVKMSK-UHFFFAOYSA-N
XLogP5.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]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

4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 96571422
2-[1-(azepan-1-yl)ethyl]-1-butylbenzimidazole
CID 18885259
1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole
CID 92735667
2-[1-(azepan-1-yl)ethyl]-1-hexylbenzimidazole
CID 18885264
1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine
CID 82311441
3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
CID 82311578
1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
CID 40634309
4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885134
2-[(1S)-1-(azepan-1-yl)ethyl]-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 96571436
5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-piperidin-1-ylpentan-1-amine
CID 67872431
2-[1-(azepan-1-yl)ethyl]-1-[3-(4-ethylphenoxy)propyl]benzimidazole
CID 18885329
N-[(1R)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366525

Frequently Asked Questions

What is the IUPAC name of 2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole?
The IUPAC name of 2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole (CID 18885276) is 2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole is CC(c1nc2ccccc2n1Cc1ccc(F)cc1)N1CCCCCC1.
What is the InChIKey of 2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole?
The InChIKey is AIPACKRNYVKMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3/c1-17(25-14-6-2-3-7-15-25)22-24-20-8-4-5-9-21(20)26(22)16-18-10-12-19(23)13-11-18/h4-5,8-13,17H,2-3,6-7,14-16H2,1H3.
What are the key properties of 2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole?
2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole has a molecular weight of 351.47 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole is sourced from PubChem (CID 18885276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).