2-[4-[[2-(3-chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide

C34H29ClN6O — CID 134156711

IUPAC2-[4-[[2-(3-chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(Cn3c(-c4cccc(Cl)c4)nc(-c4ccccc4)c3-c3ccccc3)nn2)c(C)c1
InChIInChI=1S/C34H29ClN6O/c1-23-16-17-30(24(2)18-23)36-31(42)22-40-20-29(38-39-40)21-41-33(26-12-7-4-8-13-26)32(25-10-5-3-6-11-25)37-34(41)27-14-9-15-28(35)19-27/h3-20H,21-22H2,1-2H3,(H,36,42)
InChIKeyMCUMWEGIOCLRNT-UHFFFAOYSA-N
MW573.10 g/mol
LogP7.43
Rot. Bonds8

About 2-[4-[[2-(3-chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide

2-[4-[[2-(3-chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 134156711) has the molecular formula C34H29ClN6O and a molecular weight of 573.10 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID134156711
Molecular FormulaC34H29ClN6O
Molecular Weight573.10 g/mol
Exact Mass572.21
IUPAC Name2-[4-[[2-(3-chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(Cn3c(-c4cccc(Cl)c4)nc(-c4ccccc4)c3-c3ccccc3)nn2)c(C)c1
InChIInChI=1S/C34H29ClN6O/c1-23-16-17-30(24(2)18-23)36-31(42)22-40-20-29(38-39-40)21-41-33(26-12-7-4-8-13-26)32(25-10-5-3-6-11-25)37-34(41)27-14-9-15-28(35)19-27/h3-20H,21-22H2,1-2H3,(H,36,42)
InChIKeyMCUMWEGIOCLRNT-UHFFFAOYSA-N
XLogP7.43
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.10
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Tipifarnib
CID 159324
R115777
CID 148193
2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide
CID 156027237
6-[Amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-9-(3-chlorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
CID 9870627
Tipifarnib S enantiomer
CID 9935249
1-[(1-{[4-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl]methyl}-1H-imidazol-5-yl)methyl]-1H-pyrrole-3-carbonitrile
CID 23646774
1-[(2,4-Dimethyl-phenylcarbamoyl)-methyl]-3-p-tolyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16682326
6-[Amino-(4-chloro-phenyl)-(3-methyl-3H-imidazol-4-yl)-methyl]-4-(3-chloro-phenyl)-1-methyl-1H-quinazolin-2-one
CID 9957218
6-[Amino-(4-chloro-phenyl)-(3-methyl-3H-imidazol-4-yl)-methyl]-4-(3-chloro-phenyl)-1H-quinolin-2-one
CID 44285512
7-[Amino-(4-chloro-phenyl)-(3-methyl-3H-imidazol-4-yl)-methyl]-5-(3-chloro-phenyl)-1-methyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
CID 44286156
6-[Amino-(4-chlorophenyl)-(3-ethylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 46236366
4-(3-Chlorophenyl)-6-[(4-chlorophenyl)-(3-ethylimidazol-4-yl)-(methylamino)methyl]-1-methylquinolin-2-one
CID 46236367

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide (CID 134156711) is 2-[4-[[2-(3-chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cn2cc(Cn3c(-c4cccc(Cl)c4)nc(-c4ccccc4)c3-c3ccccc3)nn2)c(C)c1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is MCUMWEGIOCLRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29ClN6O/c1-23-16-17-30(24(2)18-23)36-31(42)22-40-20-29(38-39-40)21-41-33(26-12-7-4-8-13-26)32(25-10-5-3-6-11-25)37-34(41)27-14-9-15-28(35)19-27/h3-20H,21-22H2,1-2H3,(H,36,42).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide?
2-[4-[[2-(3-chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 573.10 g/mol, XLogP of 7.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 134156711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).