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

C19H19ClN2 — CID 46198736

IUPAC2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
SMILESCC(C)c1ccc(-c2cnc(Cc3ccc(Cl)cc3)[nH]2)cc1
InChIInChI=1S/C19H19ClN2/c1-13(2)15-5-7-16(8-6-15)18-12-21-19(22-18)11-14-3-9-17(20)10-4-14/h3-10,12-13H,11H2,1-2H3,(H,21,22)
InChIKeyQAJSVNHXNFAYRR-UHFFFAOYSA-N
MW310.83 g/mol
LogP5.44
Rot. Bonds4

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

2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole (PubChem CID 46198736) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
PubChem CID46198736
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC Name2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
SMILESCC(C)c1ccc(-c2cnc(Cc3ccc(Cl)cc3)[nH]2)cc1
InChIInChI=1S/C19H19ClN2/c1-13(2)15-5-7-16(8-6-15)18-12-21-19(22-18)11-14-3-9-17(20)10-4-14/h3-10,12-13H,11H2,1-2H3,(H,21,22)
InChIKeyQAJSVNHXNFAYRR-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-[(3-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
CID 46198735
2-[(2-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
CID 46198734
5-[4-(trifluoromethyl)phenyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazole
CID 18755583
5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole
CID 142805619
2-chloro-5-(4-chlorophenyl)-1H-imidazole
CID 30033002
5-(4-chlorophenyl)-2-(thiophen-2-ylmethyl)-1H-imidazole
CID 71061784
2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile
CID 96610326
2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890377
5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole
CID 18755567
N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 55176708
N-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
CID 60843269
5-(3,5-dichlorophenyl)-2-(1H-pyrrol-3-ylmethyl)-1H-imidazole
CID 150558660

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole (CID 46198736) is 2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole is CC(C)c1ccc(-c2cnc(Cc3ccc(Cl)cc3)[nH]2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole?
The InChIKey is QAJSVNHXNFAYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2/c1-13(2)15-5-7-16(8-6-15)18-12-21-19(22-18)11-14-3-9-17(20)10-4-14/h3-10,12-13H,11H2,1-2H3,(H,21,22).
What are the key properties of 2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole?
2-[(4-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-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole is sourced from PubChem (CID 46198736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).