2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine

C16H16FN3 — CID 82305556

IUPAC2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine
SMILESNCCc1ccc2nc(Cc3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C16H16FN3/c17-13-4-1-11(2-5-13)10-16-19-14-6-3-12(7-8-18)9-15(14)20-16/h1-6,9H,7-8,10,18H2,(H,19,20)
InChIKeyZRIIAZAZJFINHH-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.79
Rot. Bonds4

About 2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine

2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine (PubChem CID 82305556) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine
PubChem CID82305556
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine
SMILESNCCc1ccc2nc(Cc3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C16H16FN3/c17-13-4-1-11(2-5-13)10-16-19-14-6-3-12(7-8-18)9-15(14)20-16/h1-6,9H,7-8,10,18H2,(H,19,20)
InChIKeyZRIIAZAZJFINHH-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol
CID 81431671
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine
CID 82305555
2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine
CID 63793363
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
2-[2-[hydroxy(dimethyl)-λ4-sulfanyl]-3H-benzimidazol-5-yl]ethanamine
CID 123909536
[2-[(3-bromophenyl)methyl]-3H-benzimidazol-5-yl]methanamine
CID 79004444
2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine
CID 82304182
2-[[(4-fluorophenyl)methyl-methylamino]methyl]-3H-benzimidazol-5-amine
CID 43575003
(E)-3-[4-[[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]methyl]phenyl]prop-2-enoic acid
CID 58740600
2-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride
CID 46736450

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine (CID 82305556) is 2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine is NCCc1ccc2nc(Cc3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine?
The InChIKey is ZRIIAZAZJFINHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c17-13-4-1-11(2-5-13)10-16-19-14-6-3-12(7-8-18)9-15(14)20-16/h1-6,9H,7-8,10,18H2,(H,19,20).
What are the key properties of 2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine?
2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine has a molecular weight of 269.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine is sourced from PubChem (CID 82305556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).