1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-N-propan-2-ylimidazol-2-amine

C14H15ClF3N3 — CID 106557201

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-N-propan-2-ylimidazol-2-amine
SMILESCc1cn(-c2ccc(Cl)cc2C(F)(F)F)c(NC(C)C)n1
InChIInChI=1S/C14H15ClF3N3/c1-8(2)19-13-20-9(3)7-21(13)12-5-4-10(15)6-11(12)14(16,17)18/h4-8H,1-3H3,(H,19,20)
InChIKeyPXINKRGRCWPTNF-UHFFFAOYSA-N
MW317.74 g/mol
LogP4.67
Rot. Bonds3

About 1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-N-propan-2-ylimidazol-2-amine

1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-N-propan-2-ylimidazol-2-amine (PubChem CID 106557201) has the molecular formula C14H15ClF3N3 and a molecular weight of 317.74 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-N-propan-2-ylimidazol-2-amine
PubChem CID106557201
Molecular FormulaC14H15ClF3N3
Molecular Weight317.74 g/mol
Exact Mass317.09
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-N-propan-2-ylimidazol-2-amine
SMILESCc1cn(-c2ccc(Cl)cc2C(F)(F)F)c(NC(C)C)n1
InChIInChI=1S/C14H15ClF3N3/c1-8(2)19-13-20-9(3)7-21(13)12-5-4-10(15)6-11(12)14(16,17)18/h4-8H,1-3H3,(H,19,20)
InChIKeyPXINKRGRCWPTNF-UHFFFAOYSA-N
XLogP4.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-N-propan-2-ylimidazol-2-amine (CID 106557201) is 1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-N-propan-2-ylimidazol-2-amine is Cc1cn(-c2ccc(Cl)cc2C(F)(F)F)c(NC(C)C)n1.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-N-propan-2-ylimidazol-2-amine?
The InChIKey is PXINKRGRCWPTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3/c1-8(2)19-13-20-9(3)7-21(13)12-5-4-10(15)6-11(12)14(16,17)18/h4-8H,1-3H3,(H,19,20).
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-N-propan-2-ylimidazol-2-amine?
1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-N-propan-2-ylimidazol-2-amine has a molecular weight of 317.74 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106557201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).