3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine

C16H16FN3 — CID 82305555

IUPAC3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine
SMILESNCCCc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C16H16FN3/c17-13-6-4-12(5-7-13)16-19-14-8-3-11(2-1-9-18)10-15(14)20-16/h3-8,10H,1-2,9,18H2,(H,19,20)
InChIKeyOLCSXLHLRXYLHI-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.26
Rot. Bonds4

About 3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine

3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine (PubChem CID 82305555) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine
PubChem CID82305555
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine
SMILESNCCCc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C16H16FN3/c17-13-6-4-12(5-7-13)16-19-14-8-3-11(2-1-9-18)10-15(14)20-16/h3-8,10H,1-2,9,18H2,(H,19,20)
InChIKeyOLCSXLHLRXYLHI-UHFFFAOYSA-N
XLogP3.26
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine
CID 63793363
2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine
CID 82304182
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine
CID 82305556
[2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine
CID 113436420
2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine
CID 79631765
2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292187
2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292186
2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide
CID 3007950
6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole
CID 112730258
2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole
CID 107954664
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine?
The IUPAC name of 3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine (CID 82305555) is 3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine is NCCCc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine?
The InChIKey is OLCSXLHLRXYLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c17-13-6-4-12(5-7-13)16-19-14-8-3-11(2-1-9-18)10-15(14)20-16/h3-8,10H,1-2,9,18H2,(H,19,20).
What are the key properties of 3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine?
3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine has a molecular weight of 269.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine is sourced from PubChem (CID 82305555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).