3-butyl-5-(4-chloro-2-fluorophenyl)-2-cyclopropylimidazol-4-amine

C16H19ClFN3 — CID 114859771

IUPAC3-butyl-5-(4-chloro-2-fluorophenyl)-2-cyclopropylimidazol-4-amine
SMILESCCCCn1c(C2CC2)nc(-c2ccc(Cl)cc2F)c1N
InChIInChI=1S/C16H19ClFN3/c1-2-3-8-21-15(19)14(20-16(21)10-4-5-10)12-7-6-11(17)9-13(12)18/h6-7,9-10H,2-5,8,19H2,1H3
InChIKeyDACPNQARGJDZOA-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.60
Rot. Bonds5

About 3-butyl-5-(4-chloro-2-fluorophenyl)-2-cyclopropylimidazol-4-amine

3-butyl-5-(4-chloro-2-fluorophenyl)-2-cyclopropylimidazol-4-amine (PubChem CID 114859771) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is 3-butyl-5-(4-chloro-2-fluorophenyl)-2-cyclopropylimidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(4-chloro-2-fluorophenyl)-2-cyclopropylimidazol-4-amine
PubChem CID114859771
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name3-butyl-5-(4-chloro-2-fluorophenyl)-2-cyclopropylimidazol-4-amine
SMILESCCCCn1c(C2CC2)nc(-c2ccc(Cl)cc2F)c1N
InChIInChI=1S/C16H19ClFN3/c1-2-3-8-21-15(19)14(20-16(21)10-4-5-10)12-7-6-11(17)9-13(12)18/h6-7,9-10H,2-5,8,19H2,1H3
InChIKeyDACPNQARGJDZOA-UHFFFAOYSA-N
XLogP4.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(4-chloro-2-fluorophenyl)-2-cyclopropylimidazol-4-amine?
The IUPAC name of 3-butyl-5-(4-chloro-2-fluorophenyl)-2-cyclopropylimidazol-4-amine (CID 114859771) is 3-butyl-5-(4-chloro-2-fluorophenyl)-2-cyclopropylimidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(4-chloro-2-fluorophenyl)-2-cyclopropylimidazol-4-amine?
The canonical SMILES for 3-butyl-5-(4-chloro-2-fluorophenyl)-2-cyclopropylimidazol-4-amine is CCCCn1c(C2CC2)nc(-c2ccc(Cl)cc2F)c1N.
What is the InChIKey of 3-butyl-5-(4-chloro-2-fluorophenyl)-2-cyclopropylimidazol-4-amine?
The InChIKey is DACPNQARGJDZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-2-3-8-21-15(19)14(20-16(21)10-4-5-10)12-7-6-11(17)9-13(12)18/h6-7,9-10H,2-5,8,19H2,1H3.
What are the key properties of 3-butyl-5-(4-chloro-2-fluorophenyl)-2-cyclopropylimidazol-4-amine?
3-butyl-5-(4-chloro-2-fluorophenyl)-2-cyclopropylimidazol-4-amine has a molecular weight of 307.80 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(4-chloro-2-fluorophenyl)-2-cyclopropylimidazol-4-amine is sourced from PubChem (CID 114859771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).