[2-(benzimidazol-1-yl)-6-fluorophenyl]methanamine

C14H12FN3 — CID 79516380

IUPAC[2-(benzimidazol-1-yl)-6-fluorophenyl]methanamine
SMILESNCc1c(F)cccc1-n1cnc2ccccc21
InChIInChI=1S/C14H12FN3/c15-11-4-3-7-13(10(11)8-16)18-9-17-12-5-1-2-6-14(12)18/h1-7,9H,8,16H2
InChIKeySBMNHNCDYHFFQD-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.62
Rot. Bonds2

About [2-(benzimidazol-1-yl)-6-fluorophenyl]methanamine

[2-(benzimidazol-1-yl)-6-fluorophenyl]methanamine (PubChem CID 79516380) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is [2-(benzimidazol-1-yl)-6-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(benzimidazol-1-yl)-6-fluorophenyl]methanamine
PubChem CID79516380
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name[2-(benzimidazol-1-yl)-6-fluorophenyl]methanamine
SMILESNCc1c(F)cccc1-n1cnc2ccccc21
InChIInChI=1S/C14H12FN3/c15-11-4-3-7-13(10(11)8-16)18-9-17-12-5-1-2-6-14(12)18/h1-7,9H,8,16H2
InChIKeySBMNHNCDYHFFQD-UHFFFAOYSA-N
XLogP2.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzimidazol-1-yl)-6-fluorobenzoic acid
CID 79512434
[2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride
CID 75529767
2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride
CID 82253500
1-(2-ethylphenyl)benzimidazole
CID 22078308
4-(benzimidazol-1-yl)-2H-benzotriazole
CID 139651925
(2-fluoro-6-indazol-1-ylphenyl)methanamine
CID 79517639
1-(2,3-dichlorophenyl)benzimidazole
CID 42636654
3-(benzimidazol-1-yl)-N-methyl-N-phenyl-2-prop-2-enylaniline
CID 155815073
2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine
CID 63815534
[2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine
CID 81299090
[4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine
CID 141496623
3-(benzimidazol-1-yl)-2-methylbenzoic acid
CID 70364781

Frequently Asked Questions

What is the IUPAC name of [2-(benzimidazol-1-yl)-6-fluorophenyl]methanamine?
The IUPAC name of [2-(benzimidazol-1-yl)-6-fluorophenyl]methanamine (CID 79516380) is [2-(benzimidazol-1-yl)-6-fluorophenyl]methanamine.
What is the SMILES notation for [2-(benzimidazol-1-yl)-6-fluorophenyl]methanamine?
The canonical SMILES for [2-(benzimidazol-1-yl)-6-fluorophenyl]methanamine is NCc1c(F)cccc1-n1cnc2ccccc21.
What is the InChIKey of [2-(benzimidazol-1-yl)-6-fluorophenyl]methanamine?
The InChIKey is SBMNHNCDYHFFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c15-11-4-3-7-13(10(11)8-16)18-9-17-12-5-1-2-6-14(12)18/h1-7,9H,8,16H2.
What are the key properties of [2-(benzimidazol-1-yl)-6-fluorophenyl]methanamine?
[2-(benzimidazol-1-yl)-6-fluorophenyl]methanamine has a molecular weight of 241.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzimidazol-1-yl)-6-fluorophenyl]methanamine is sourced from PubChem (CID 79516380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).