5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine

C15H17ClFN3 — CID 81165822

IUPAC5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine
SMILESCn1c(C2CCCC2)nc(-c2ccc(F)c(Cl)c2)c1N
InChIInChI=1S/C15H17ClFN3/c1-20-14(18)13(10-6-7-12(17)11(16)8-10)19-15(20)9-4-2-3-5-9/h6-9H,2-5,18H2,1H3
InChIKeyHXPXAVCVMQUCFB-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.12
Rot. Bonds2

About 5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine

5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine (PubChem CID 81165822) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine
PubChem CID81165822
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine
SMILESCn1c(C2CCCC2)nc(-c2ccc(F)c(Cl)c2)c1N
InChIInChI=1S/C15H17ClFN3/c1-20-14(18)13(10-6-7-12(17)11(16)8-10)19-15(20)9-4-2-3-5-9/h6-9H,2-5,18H2,1H3
InChIKeyHXPXAVCVMQUCFB-UHFFFAOYSA-N
XLogP4.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine (CID 81165822) is 5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine is Cn1c(C2CCCC2)nc(-c2ccc(F)c(Cl)c2)c1N.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine?
The InChIKey is HXPXAVCVMQUCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-20-14(18)13(10-6-7-12(17)11(16)8-10)19-15(20)9-4-2-3-5-9/h6-9H,2-5,18H2,1H3.
What are the key properties of 5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine?
5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine has a molecular weight of 293.77 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-2-cyclopentyl-3-methylimidazol-4-amine is sourced from PubChem (CID 81165822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).