2-[(3-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole

C19H19ClN2 — CID 46198735

IUPAC2-[(3-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
SMILESCC(C)c1ccc(-c2cnc(Cc3cccc(Cl)c3)[nH]2)cc1
InChIInChI=1S/C19H19ClN2/c1-13(2)15-6-8-16(9-7-15)18-12-21-19(22-18)11-14-4-3-5-17(20)10-14/h3-10,12-13H,11H2,1-2H3,(H,21,22)
InChIKeyRQYGOJXPABMZLF-UHFFFAOYSA-N
MW310.83 g/mol
LogP5.44
Rot. Bonds4

About 2-[(3-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole

2-[(3-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole (PubChem CID 46198735) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
PubChem CID46198735
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC Name2-[(3-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
SMILESCC(C)c1ccc(-c2cnc(Cc3cccc(Cl)c3)[nH]2)cc1
InChIInChI=1S/C19H19ClN2/c1-13(2)15-6-8-16(9-7-15)18-12-21-19(22-18)11-14-4-3-5-17(20)10-14/h3-10,12-13H,11H2,1-2H3,(H,21,22)
InChIKeyRQYGOJXPABMZLF-UHFFFAOYSA-N
XLogP5.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.83
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
CID 46198736
2-[(2-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
CID 46198734
2-benzyl-5-(2,5-dichlorophenyl)-1H-imidazole
CID 141255834
5-(2,3-dichlorophenyl)-2-[(3,5-dichlorophenyl)methyl]-1H-imidazole
CID 141255824
2-chloro-5-(3-chlorophenyl)-1H-imidazole
CID 105466466
N-methyl-1-[2-methyl-5-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828241
2-benzyl-5-(3-butylphenyl)-1H-imidazole
CID 91210581
5-(3,5-dichlorophenyl)-2-(1H-pyrrol-3-ylmethyl)-1H-imidazole
CID 150558660
5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole
CID 71061784
1-[(3-chlorophenyl)methyl]-2-(4-propan-2-ylphenyl)benzimidazole
CID 20930565
2-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 65230342
5-[4-(trifluoromethyl)phenyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazole
CID 18755583

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole (CID 46198735) is 2-[(3-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole is CC(C)c1ccc(-c2cnc(Cc3cccc(Cl)c3)[nH]2)cc1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole?
The InChIKey is RQYGOJXPABMZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2/c1-13(2)15-6-8-16(9-7-15)18-12-21-19(22-18)11-14-4-3-5-17(20)10-14/h3-10,12-13H,11H2,1-2H3,(H,21,22).
What are the key properties of 2-[(3-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole?
2-[(3-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole has a molecular weight of 310.83 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole is sourced from PubChem (CID 46198735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).