2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methyl-N-[3-(1H-pyrrol-2-yl)phenyl]imidazole-4-carboxamide

C30H28N4O3 — CID 167525287

IUPAC2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methyl-N-[3-(1H-pyrrol-2-yl)phenyl]imidazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3cccc(-c4ccc[nH]4)c3)n2O)cc1-c1c(C)cccc1C
InChIInChI=1S/C30H28N4O3/c1-18-8-5-9-19(2)27(18)24-17-22(13-14-26(24)37-4)29-32-20(3)28(34(29)36)30(35)33-23-11-6-10-21(16-23)25-12-7-15-31-25/h5-17,31,36H,1-4H3,(H,33,35)
InChIKeyNBHAEGRJHZXUIR-UHFFFAOYSA-N
MW492.58 g/mol
LogP6.64
Rot. Bonds6

About 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methyl-N-[3-(1H-pyrrol-2-yl)phenyl]imidazole-4-carboxamide

2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methyl-N-[3-(1H-pyrrol-2-yl)phenyl]imidazole-4-carboxamide (PubChem CID 167525287) has the molecular formula C30H28N4O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methyl-N-[3-(1H-pyrrol-2-yl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methyl-N-[3-(1H-pyrrol-2-yl)phenyl]imidazole-4-carboxamide
PubChem CID167525287
Molecular FormulaC30H28N4O3
Molecular Weight492.58 g/mol
Exact Mass492.22
IUPAC Name2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methyl-N-[3-(1H-pyrrol-2-yl)phenyl]imidazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3cccc(-c4ccc[nH]4)c3)n2O)cc1-c1c(C)cccc1C
InChIInChI=1S/C30H28N4O3/c1-18-8-5-9-19(2)27(18)24-17-22(13-14-26(24)37-4)29-32-20(3)28(34(29)36)30(35)33-23-11-6-10-21(16-23)25-12-7-15-31-25/h5-17,31,36H,1-4H3,(H,33,35)
InChIKeyNBHAEGRJHZXUIR-UHFFFAOYSA-N
XLogP6.64
TPSA92.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 56.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylcarbamoyl)phenyl]-2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methylimidazole-4-carboxamide
CID 167525229
tert-butyl 4-[3-[[2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methylimidazole-4-carbonyl]amino]benzoyl]piperazine-1-carboxylate
CID 167525300
2-[4-(difluoromethoxy)-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-hydroxy-5-methylimidazole-4-carboxamide
CID 167525239
N-[3-(1,1-difluoropropyl)phenyl]-2-[3-(2,6-dimethyl-4-prop-1-ynylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methylimidazole-4-carboxamide
CID 167525243
2-[3-(2,6-dimethylphenyl)phenyl]-3-hydroxy-5-methyl-N-[3-(methylcarbamoyl)phenyl]imidazole-4-carboxamide
CID 167525301
2-[4-chloro-3-(2,6-dimethylphenyl)phenyl]-N-[3-(1,1-difluoropropyl)phenyl]-3-hydroxy-5-methylimidazole-4-carboxamide
CID 167525224
3,4-dimethoxy-N-[3-[3-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]benzamide
CID 135813051
3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39263384
3,4-dimethoxy-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121028699
dibutyl [4-[[3-(1,1-difluoropropyl)phenyl]carbamoyl]-2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-5-methylimidazol-1-yl]methyl phosphate
CID 166845011
[3-[2-[3-(carboxyamino)phenyl]-5,6-dimethoxy-3-pyridinyl]phenyl]carbamic acid
CID 118306661
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methyl-N-[3-(1H-pyrrol-2-yl)phenyl]imidazole-4-carboxamide?
The IUPAC name of 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methyl-N-[3-(1H-pyrrol-2-yl)phenyl]imidazole-4-carboxamide (CID 167525287) is 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methyl-N-[3-(1H-pyrrol-2-yl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methyl-N-[3-(1H-pyrrol-2-yl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methyl-N-[3-(1H-pyrrol-2-yl)phenyl]imidazole-4-carboxamide is COc1ccc(-c2nc(C)c(C(=O)Nc3cccc(-c4ccc[nH]4)c3)n2O)cc1-c1c(C)cccc1C.
What is the InChIKey of 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methyl-N-[3-(1H-pyrrol-2-yl)phenyl]imidazole-4-carboxamide?
The InChIKey is NBHAEGRJHZXUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O3/c1-18-8-5-9-19(2)27(18)24-17-22(13-14-26(24)37-4)29-32-20(3)28(34(29)36)30(35)33-23-11-6-10-21(16-23)25-12-7-15-31-25/h5-17,31,36H,1-4H3,(H,33,35).
What are the key properties of 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methyl-N-[3-(1H-pyrrol-2-yl)phenyl]imidazole-4-carboxamide?
2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methyl-N-[3-(1H-pyrrol-2-yl)phenyl]imidazole-4-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 6.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylphenyl)-4-methoxyphenyl]-3-hydroxy-5-methyl-N-[3-(1H-pyrrol-2-yl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 167525287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).