2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine

C16H16FN3 — CID 62507061

IUPAC2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1-c1cccc(F)c1C
InChIInChI=1S/C16H16FN3/c1-3-16-19-13-9-11(18)7-8-15(13)20(16)14-6-4-5-12(17)10(14)2/h4-9H,3,18H2,1-2H3
InChIKeyQAYUPDKNVSQJHQ-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.62
Rot. Bonds2

About 2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine

2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine (PubChem CID 62507061) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine
PubChem CID62507061
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1-c1cccc(F)c1C
InChIInChI=1S/C16H16FN3/c1-3-16-19-13-9-11(18)7-8-15(13)20(16)14-6-4-5-12(17)10(14)2/h4-9H,3,18H2,1-2H3
InChIKeyQAYUPDKNVSQJHQ-UHFFFAOYSA-N
XLogP3.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine?
The IUPAC name of 2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine (CID 62507061) is 2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine.
What is the SMILES notation for 2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine?
The canonical SMILES for 2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine is CCc1nc2cc(N)ccc2n1-c1cccc(F)c1C.
What is the InChIKey of 2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine?
The InChIKey is QAYUPDKNVSQJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c1-3-16-19-13-9-11(18)7-8-15(13)20(16)14-6-4-5-12(17)10(14)2/h4-9H,3,18H2,1-2H3.
What are the key properties of 2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine?
2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine has a molecular weight of 269.32 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine is sourced from PubChem (CID 62507061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).