4-(3-chlorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine

C17H13ClF3N3 — CID 156518197

IUPAC4-(3-chlorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine
SMILESCn1cc(-c2cccc(Cl)c2)nc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13ClF3N3/c1-24-10-15(11-4-2-6-13(18)8-11)23-16(24)22-14-7-3-5-12(9-14)17(19,20)21/h2-10H,1H3,(H,22,23)
InChIKeyQDVKWCKVQXHWOU-UHFFFAOYSA-N
MW351.76 g/mol
LogP5.50
Rot. Bonds3

About 4-(3-chlorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine

4-(3-chlorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine (PubChem CID 156518197) has the molecular formula C17H13ClF3N3 and a molecular weight of 351.76 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine
PubChem CID156518197
Molecular FormulaC17H13ClF3N3
Molecular Weight351.76 g/mol
Exact Mass351.08
IUPAC Name4-(3-chlorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine
SMILESCn1cc(-c2cccc(Cl)c2)nc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13ClF3N3/c1-24-10-15(11-4-2-6-13(18)8-11)23-16(24)22-14-7-3-5-12(9-14)17(19,20)21/h2-10H,1H3,(H,22,23)
InChIKeyQDVKWCKVQXHWOU-UHFFFAOYSA-N
XLogP5.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.76
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]thiophen-2-amine
CID 156506665
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 159276710
4-[3-(dimethylamino)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 156517729
6-chloro-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80762662
2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide bromide
CID 45053574
9-pentyl-8-N-[3-(trifluoromethyl)phenyl]purine-2,8-diamine
CID 150221688
3-chloro-5-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzonitrile
CID 156506524
ethane;3-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzoic acid
CID 156795689
1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 924018
N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]aniline
CID 142703833
1,3-bis[(4-methylphenyl)methyl]-6-[3-(trifluoromethyl)anilino]-1,3,5-triazine-2,4-dione
CID 58578578
N-(3-chlorophenyl)-1-methylimidazol-2-amine
CID 68890475

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine (CID 156518197) is 4-(3-chlorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine is Cn1cc(-c2cccc(Cl)c2)nc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(3-chlorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine?
The InChIKey is QDVKWCKVQXHWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3/c1-24-10-15(11-4-2-6-13(18)8-11)23-16(24)22-14-7-3-5-12(9-14)17(19,20)21/h2-10H,1H3,(H,22,23).
What are the key properties of 4-(3-chlorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine?
4-(3-chlorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine has a molecular weight of 351.76 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine is sourced from PubChem (CID 156518197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).