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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Related Compounds

5-(4-chloro-2-fluorophenyl)-2-cyclohexyl-3-methylimidazol-4-amine
CID 114859800
3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine
CID 62220576
2-cyclopropyl-5-(2,4-dimethylphenyl)-3-propylimidazol-4-amine
CID 62220013
4-(5-amino-1-butyl-2-cyclopropylimidazol-4-yl)benzonitrile
CID 62220577
3-butyl-2-cyclopropyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine
CID 104823262
5-(4-chloro-2-fluorophenyl)-3-cyclopropyl-2-ethylimidazol-4-amine
CID 114859682
2-cyclopropyl-5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine
CID 62220925
3-butyl-5-(2,4-difluorophenyl)-2-propan-2-ylimidazol-4-amine
CID 62220167
5-(2-bromo-5-chlorophenyl)-3-butyl-2-methylimidazol-4-amine
CID 66161297
5-(5-chloro-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine
CID 114859651
2-cyclopropyl-5-(3,5-dimethylphenyl)-3-propylimidazol-4-amine
CID 62220740
3-tert-butyl-2-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine
CID 62218779

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).