2-[2-[(2-chlorophenyl)methyl]-1-(4-phenylphenyl)imidazol-4-yl]propan-2-ol

C25H23ClN2O — CID 71219422

IUPAC2-[2-[(2-chlorophenyl)methyl]-1-(4-phenylphenyl)imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3ccccc3)cc2)c(Cc2ccccc2Cl)n1
InChIInChI=1S/C25H23ClN2O/c1-25(2,29)23-17-28(24(27-23)16-20-10-6-7-11-22(20)26)21-14-12-19(13-15-21)18-8-4-3-5-9-18/h3-15,17,29H,16H2,1-2H3
InChIKeyPJUPTYQYDPMMGM-UHFFFAOYSA-N
MW402.93 g/mol
LogP6.01
Rot. Bonds5

About 2-[2-[(2-chlorophenyl)methyl]-1-(4-phenylphenyl)imidazol-4-yl]propan-2-ol

2-[2-[(2-chlorophenyl)methyl]-1-(4-phenylphenyl)imidazol-4-yl]propan-2-ol (PubChem CID 71219422) has the molecular formula C25H23ClN2O and a molecular weight of 402.93 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methyl]-1-(4-phenylphenyl)imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methyl]-1-(4-phenylphenyl)imidazol-4-yl]propan-2-ol
PubChem CID71219422
Molecular FormulaC25H23ClN2O
Molecular Weight402.93 g/mol
Exact Mass402.15
IUPAC Name2-[2-[(2-chlorophenyl)methyl]-1-(4-phenylphenyl)imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(-c3ccccc3)cc2)c(Cc2ccccc2Cl)n1
InChIInChI=1S/C25H23ClN2O/c1-25(2,29)23-17-28(24(27-23)16-20-10-6-7-11-22(20)26)21-14-12-19(13-15-21)18-8-4-3-5-9-18/h3-15,17,29H,16H2,1-2H3
InChIKeyPJUPTYQYDPMMGM-UHFFFAOYSA-N
XLogP6.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.93
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-chlorophenyl)methyl]-1-[4-[4-(hydroxymethyl)-3-methylsulfanylphenyl]phenyl]imidazol-4-yl]propan-2-ol
CID 90377894
2-[2-[2-(2-chlorophenyl)ethyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251361
5-[4-[2-[2-(2-chlorophenyl)ethyl]-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]-2-(hydroxymethyl)benzenesulfinate
CID 90377918
2-[2-[(2,6-dichlorophenyl)methyl]-1-[4-[3-ethylsulfonyl-4-(hydroxymethyl)phenyl]phenyl]imidazol-4-yl]propan-2-ol
CID 59251349
2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol
CID 59251562
2-[4-[4-[2-(2,3-dichlorophenyl)-4-(2-hydroxypropan-2-yl)imidazol-1-yl]phenyl]phenyl]propan-2-ol
CID 59251333
2-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazol-4-yl]propan-2-ol
CID 59251326
2-[2-[2-(2-chlorophenyl)propan-2-yl]-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 90378002
2-[2-(2-ethylphenyl)-1-[4-(3-methylsulfinylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 71219168
2-[1-(2,6-dichlorophenyl)-2-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251279
2-[1-[4-(4-ethylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251264
5-[(2-chlorophenyl)methyl]-4-methyl-1,2,4-triazole-3-carboxylic acid
CID 19904237

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methyl]-1-(4-phenylphenyl)imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-[(2-chlorophenyl)methyl]-1-(4-phenylphenyl)imidazol-4-yl]propan-2-ol (CID 71219422) is 2-[2-[(2-chlorophenyl)methyl]-1-(4-phenylphenyl)imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methyl]-1-(4-phenylphenyl)imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methyl]-1-(4-phenylphenyl)imidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2ccc(-c3ccccc3)cc2)c(Cc2ccccc2Cl)n1.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methyl]-1-(4-phenylphenyl)imidazol-4-yl]propan-2-ol?
The InChIKey is PJUPTYQYDPMMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O/c1-25(2,29)23-17-28(24(27-23)16-20-10-6-7-11-22(20)26)21-14-12-19(13-15-21)18-8-4-3-5-9-18/h3-15,17,29H,16H2,1-2H3.
What are the key properties of 2-[2-[(2-chlorophenyl)methyl]-1-(4-phenylphenyl)imidazol-4-yl]propan-2-ol?
2-[2-[(2-chlorophenyl)methyl]-1-(4-phenylphenyl)imidazol-4-yl]propan-2-ol has a molecular weight of 402.93 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methyl]-1-(4-phenylphenyl)imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 71219422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).