2-cyclopentyl-5-(2,3-difluorophenyl)-3-ethylimidazol-4-amine

C16H19F2N3 — CID 63667204

IUPAC2-cyclopentyl-5-(2,3-difluorophenyl)-3-ethylimidazol-4-amine
SMILESCCn1c(C2CCCC2)nc(-c2cccc(F)c2F)c1N
InChIInChI=1S/C16H19F2N3/c1-2-21-15(19)14(11-8-5-9-12(17)13(11)18)20-16(21)10-6-3-4-7-10/h5,8-10H,2-4,6-7,19H2,1H3
InChIKeyNCABERGDSOYVPC-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.09
Rot. Bonds3

About 2-cyclopentyl-5-(2,3-difluorophenyl)-3-ethylimidazol-4-amine

2-cyclopentyl-5-(2,3-difluorophenyl)-3-ethylimidazol-4-amine (PubChem CID 63667204) has the molecular formula C16H19F2N3 and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-cyclopentyl-5-(2,3-difluorophenyl)-3-ethylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-5-(2,3-difluorophenyl)-3-ethylimidazol-4-amine
PubChem CID63667204
Molecular FormulaC16H19F2N3
Molecular Weight291.34 g/mol
Exact Mass291.15
IUPAC Name2-cyclopentyl-5-(2,3-difluorophenyl)-3-ethylimidazol-4-amine
SMILESCCn1c(C2CCCC2)nc(-c2cccc(F)c2F)c1N
InChIInChI=1S/C16H19F2N3/c1-2-21-15(19)14(11-8-5-9-12(17)13(11)18)20-16(21)10-6-3-4-7-10/h5,8-10H,2-4,6-7,19H2,1H3
InChIKeyNCABERGDSOYVPC-UHFFFAOYSA-N
XLogP4.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-(2,3-difluorophenyl)-3-ethylimidazol-4-amine?
The IUPAC name of 2-cyclopentyl-5-(2,3-difluorophenyl)-3-ethylimidazol-4-amine (CID 63667204) is 2-cyclopentyl-5-(2,3-difluorophenyl)-3-ethylimidazol-4-amine.
What is the SMILES notation for 2-cyclopentyl-5-(2,3-difluorophenyl)-3-ethylimidazol-4-amine?
The canonical SMILES for 2-cyclopentyl-5-(2,3-difluorophenyl)-3-ethylimidazol-4-amine is CCn1c(C2CCCC2)nc(-c2cccc(F)c2F)c1N.
What is the InChIKey of 2-cyclopentyl-5-(2,3-difluorophenyl)-3-ethylimidazol-4-amine?
The InChIKey is NCABERGDSOYVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-2-21-15(19)14(11-8-5-9-12(17)13(11)18)20-16(21)10-6-3-4-7-10/h5,8-10H,2-4,6-7,19H2,1H3.
What are the key properties of 2-cyclopentyl-5-(2,3-difluorophenyl)-3-ethylimidazol-4-amine?
2-cyclopentyl-5-(2,3-difluorophenyl)-3-ethylimidazol-4-amine has a molecular weight of 291.34 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-(2,3-difluorophenyl)-3-ethylimidazol-4-amine is sourced from PubChem (CID 63667204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).