1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole

C16H15ClN2 — CID 3042994

IUPAC1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole
SMILESClc1ccc(CN2CCN=C2c2ccccc2)cc1
InChIInChI=1S/C16H15ClN2/c17-15-8-6-13(7-9-15)12-19-11-10-18-16(19)14-4-2-1-3-5-14/h1-9H,10-12H2
InChIKeyCOGQMVFTYVICRE-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.60
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole

1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole (PubChem CID 3042994) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole
PubChem CID3042994
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole
SMILESClc1ccc(CN2CCN=C2c2ccccc2)cc1
InChIInChI=1S/C16H15ClN2/c17-15-8-6-13(7-9-15)12-19-11-10-18-16(19)14-4-2-1-3-5-14/h1-9H,10-12H2
InChIKeyCOGQMVFTYVICRE-UHFFFAOYSA-N
XLogP3.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-4,5-dihydro-1H-imidazole
CID 279088
N-benzyl-3-chloro-N'-hydroxy-N-methylbenzenecarboximidamide
CID 5892449
2-(4-chlorophenyl)-4,5-dihydro-1H-imidazole hydrochloride
CID 2945131
5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidazo[2,1-a]isoindole
CID 10090352
2-(2,4-Dichlorophenyl)-4,5-dihydro-1H-imidazole
CID 12341497
(4s,5r)-4,5-Bis(4-Chlorophenyl)-2-Methyl-4,5-Dihydro-1h-Imidazole
CID 71816470
N-benzyl-4-chlorobenzenecarboximidamide
CID 2806914
4-chloro-N-cyclohexyl-N'-methylbenzenecarboximidamide;hydrochloride
CID 15945810
(4R,5S)-2-[2-(4-chlorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388827
(4R,5S)-2,4,5-tris(4-chlorophenyl)-4,5-dihydro-1H-imidazole
CID 12980493
5-(2-Chloro-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10378954
5-(3-Chloro-phenyl)-2,3-dihydro-imidazo[2,1-a]isoquinoline
CID 10378955

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole (CID 3042994) is 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole is Clc1ccc(CN2CCN=C2c2ccccc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole?
The InChIKey is COGQMVFTYVICRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c17-15-8-6-13(7-9-15)12-19-11-10-18-16(19)14-4-2-1-3-5-14/h1-9H,10-12H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole?
1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole has a molecular weight of 270.76 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole is sourced from PubChem (CID 3042994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).