5-(5-chloro-2-fluorophenyl)-3-methyl-2-propan-2-ylimidazol-4-amine

C13H15ClFN3 — CID 114859731

IUPAC5-(5-chloro-2-fluorophenyl)-3-methyl-2-propan-2-ylimidazol-4-amine
SMILESCC(C)c1nc(-c2cc(Cl)ccc2F)c(N)n1C
InChIInChI=1S/C13H15ClFN3/c1-7(2)13-17-11(12(16)18(13)3)9-6-8(14)4-5-10(9)15/h4-7H,16H2,1-3H3
InChIKeyVRFRBTIJKPZDQX-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.59
Rot. Bonds2

About 5-(5-chloro-2-fluorophenyl)-3-methyl-2-propan-2-ylimidazol-4-amine

5-(5-chloro-2-fluorophenyl)-3-methyl-2-propan-2-ylimidazol-4-amine (PubChem CID 114859731) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 5-(5-chloro-2-fluorophenyl)-3-methyl-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(5-chloro-2-fluorophenyl)-3-methyl-2-propan-2-ylimidazol-4-amine
PubChem CID114859731
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name5-(5-chloro-2-fluorophenyl)-3-methyl-2-propan-2-ylimidazol-4-amine
SMILESCC(C)c1nc(-c2cc(Cl)ccc2F)c(N)n1C
InChIInChI=1S/C13H15ClFN3/c1-7(2)13-17-11(12(16)18(13)3)9-6-8(14)4-5-10(9)15/h4-7H,16H2,1-3H3
InChIKeyVRFRBTIJKPZDQX-UHFFFAOYSA-N
XLogP3.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine
CID 62219778
5-(2-bromo-5-chlorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
CID 66161306
5-(5-chloro-2-fluorophenyl)-2-methyl-3-propylimidazol-4-amine
CID 114859651
5-(5-chloro-2-fluorophenyl)-3-(2-methylpropyl)-2-propylimidazol-4-amine
CID 114859722
5-(2,3-dimethylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine
CID 62219257
5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine
CID 115525227
5-(2-fluorophenyl)-2,3-di(propan-2-yl)imidazol-4-amine
CID 62219797
5-(1,5-dimethylpyrazol-4-yl)-3-methyl-2-propan-2-ylimidazol-4-amine
CID 79583562
6,8-dichloro-2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 114860102
2-[5-bromo-4-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanamine
CID 84609508
3-methyl-5-(3-methylimidazol-4-yl)-2-propan-2-ylimidazol-4-amine
CID 66118522
3-benzyl-5-(2,4-difluorophenyl)-2-propan-2-ylimidazol-4-amine
CID 113228766

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-fluorophenyl)-3-methyl-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(5-chloro-2-fluorophenyl)-3-methyl-2-propan-2-ylimidazol-4-amine (CID 114859731) is 5-(5-chloro-2-fluorophenyl)-3-methyl-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(5-chloro-2-fluorophenyl)-3-methyl-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(5-chloro-2-fluorophenyl)-3-methyl-2-propan-2-ylimidazol-4-amine is CC(C)c1nc(-c2cc(Cl)ccc2F)c(N)n1C.
What is the InChIKey of 5-(5-chloro-2-fluorophenyl)-3-methyl-2-propan-2-ylimidazol-4-amine?
The InChIKey is VRFRBTIJKPZDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-7(2)13-17-11(12(16)18(13)3)9-6-8(14)4-5-10(9)15/h4-7H,16H2,1-3H3.
What are the key properties of 5-(5-chloro-2-fluorophenyl)-3-methyl-2-propan-2-ylimidazol-4-amine?
5-(5-chloro-2-fluorophenyl)-3-methyl-2-propan-2-ylimidazol-4-amine has a molecular weight of 267.74 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-fluorophenyl)-3-methyl-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 114859731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).