2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine

C16H14FN3 — CID 82067903

IUPAC2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine
SMILESC=CCn1c(-c2ccc(F)cc2)nc2c(N)cccc21
InChIInChI=1S/C16H14FN3/c1-2-10-20-14-5-3-4-13(18)15(14)19-16(20)11-6-8-12(17)9-7-11/h2-9H,1,10,18H2
InChIKeyYSBBPUAIDXLUNS-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.61
Rot. Bonds3

About 2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine

2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine (PubChem CID 82067903) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine
PubChem CID82067903
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine
SMILESC=CCn1c(-c2ccc(F)cc2)nc2c(N)cccc21
InChIInChI=1S/C16H14FN3/c1-2-10-20-14-5-3-4-13(18)15(14)19-16(20)11-6-8-12(17)9-7-11/h2-9H,1,10,18H2
InChIKeyYSBBPUAIDXLUNS-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine (CID 82067903) is 2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine is C=CCn1c(-c2ccc(F)cc2)nc2c(N)cccc21.
What is the InChIKey of 2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine?
The InChIKey is YSBBPUAIDXLUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-2-10-20-14-5-3-4-13(18)15(14)19-16(20)11-6-8-12(17)9-7-11/h2-9H,1,10,18H2.
What are the key properties of 2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine?
2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine has a molecular weight of 267.31 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine is sourced from PubChem (CID 82067903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).