1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine

C16H16FN3 — CID 79753862

IUPAC1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCn1c(CC(N)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C16H16FN3/c1-20-15-5-3-2-4-14(15)19-16(20)10-13(18)11-6-8-12(17)9-7-11/h2-9,13H,10,18H2,1H3
InChIKeyQIYTYDBNMUDTGQ-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.95
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine

1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine (PubChem CID 79753862) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
PubChem CID79753862
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCn1c(CC(N)c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C16H16FN3/c1-20-15-5-3-2-4-14(15)19-16(20)10-13(18)11-6-8-12(17)9-7-11/h2-9,13H,10,18H2,1H3
InChIKeyQIYTYDBNMUDTGQ-UHFFFAOYSA-N
XLogP2.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753790
2-(5-fluoro-1-methylbenzimidazol-2-yl)-1-phenylethanamine
CID 60783423
2-(1-methylbenzimidazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105164906
1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105007600
2-(1-methylbenzimidazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105164893
2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79753296
1-(3-bromo-4-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 115566654
1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79754597
4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79753294
2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
CID 170893125
5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79953293
1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 82682714

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine (CID 79753862) is 1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine is Cn1c(CC(N)c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
The InChIKey is QIYTYDBNMUDTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-20-15-5-3-2-4-14(15)19-16(20)10-13(18)11-6-8-12(17)9-7-11/h2-9,13H,10,18H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine?
1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine has a molecular weight of 269.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 79753862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).