2-[4-[[2-(4-bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide

C33H27BrN6O — CID 134149940

IUPAC2-[4-[[2-(4-bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1cc(Cn2c(-c3ccc(Br)cc3)nc(-c3ccccc3)c2-c2ccccc2)nn1
InChIInChI=1S/C33H27BrN6O/c1-23-10-8-9-15-29(23)35-30(41)22-39-20-28(37-38-39)21-40-32(25-13-6-3-7-14-25)31(24-11-4-2-5-12-24)36-33(40)26-16-18-27(34)19-17-26/h2-20H,21-22H2,1H3,(H,35,41)
InChIKeyXGLNYNMSVRQSKG-UHFFFAOYSA-N
MW603.52 g/mol
LogP7.23
Rot. Bonds8

About 2-[4-[[2-(4-bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide

2-[4-[[2-(4-bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 134149940) has the molecular formula C33H27BrN6O and a molecular weight of 603.52 g/mol. Its IUPAC name is 2-[4-[[2-(4-bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[2-(4-bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID134149940
Molecular FormulaC33H27BrN6O
Molecular Weight603.52 g/mol
Exact Mass602.14
IUPAC Name2-[4-[[2-(4-bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1cc(Cn2c(-c3ccc(Br)cc3)nc(-c3ccccc3)c2-c2ccccc2)nn1
InChIInChI=1S/C33H27BrN6O/c1-23-10-8-9-15-29(23)35-30(41)22-39-20-28(37-38-39)21-40-32(25-13-6-3-7-14-25)31(24-11-4-2-5-12-24)36-33(40)26-16-18-27(34)19-17-26/h2-20H,21-22H2,1H3,(H,35,41)
InChIKeyXGLNYNMSVRQSKG-UHFFFAOYSA-N
XLogP7.23
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.52
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[2-(2-methylanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461798
2-(4-bromophenyl)-1-ethyl-4,5-diphenylimidazole
CID 11825610
N-[[1-[2-(2-methylanilino)-2-oxoethyl]triazol-4-yl]methyl]-1-phenyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 175683832
N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide
CID 138373884
N-(2-bromophenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66193364
2-[2-(4-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]acetohydrazide
CID 171053517
N-(4-bromophenyl)-2-[4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]triazol-1-yl]acetamide
CID 155806132
4-amino-1-[2-(2-methylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 107344223
N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399987
2-[4-(aminomethyl)triazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 62053635
N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634164
5-[4,5-bis(4-bromophenyl)-2-(4-methoxyphenyl)imidazol-1-yl]pentanoic acid
CID 170941551

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-[[2-(4-bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide (CID 134149940) is 2-[4-[[2-(4-bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[2-(4-bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[[2-(4-bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cn1cc(Cn2c(-c3ccc(Br)cc3)nc(-c3ccccc3)c2-c2ccccc2)nn1.
What is the InChIKey of 2-[4-[[2-(4-bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is XGLNYNMSVRQSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27BrN6O/c1-23-10-8-9-15-29(23)35-30(41)22-39-20-28(37-38-39)21-40-32(25-13-6-3-7-14-25)31(24-11-4-2-5-12-24)36-33(40)26-16-18-27(34)19-17-26/h2-20H,21-22H2,1H3,(H,35,41).
What are the key properties of 2-[4-[[2-(4-bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide?
2-[4-[[2-(4-bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 603.52 g/mol, XLogP of 7.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-bromophenyl)-4,5-diphenylimidazol-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 134149940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).