2-chloro-N-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-5-pyrazol-1-ylbenzamide

C20H16ClN5O2 — CID 157017811

IUPAC2-chloro-N-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-5-pyrazol-1-ylbenzamide
SMILESCOc1ccc(-c2cnc(NC(=O)c3cc(-n4cccn4)ccc3Cl)[nH]2)cc1
InChIInChI=1S/C20H16ClN5O2/c1-28-15-6-3-13(4-7-15)18-12-22-20(24-18)25-19(27)16-11-14(5-8-17(16)21)26-10-2-9-23-26/h2-12H,1H3,(H2,22,24,25,27)
InChIKeyUCFRGSZECSLGIL-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.18
Rot. Bonds5

About 2-chloro-N-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-5-pyrazol-1-ylbenzamide

2-chloro-N-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-5-pyrazol-1-ylbenzamide (PubChem CID 157017811) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is 2-chloro-N-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-5-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-5-pyrazol-1-ylbenzamide
PubChem CID157017811
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC Name2-chloro-N-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-5-pyrazol-1-ylbenzamide
SMILESCOc1ccc(-c2cnc(NC(=O)c3cc(-n4cccn4)ccc3Cl)[nH]2)cc1
InChIInChI=1S/C20H16ClN5O2/c1-28-15-6-3-13(4-7-15)18-12-22-20(24-18)25-19(27)16-11-14(5-8-17(16)21)26-10-2-9-23-26/h2-12H,1H3,(H2,22,24,25,27)
InChIKeyUCFRGSZECSLGIL-UHFFFAOYSA-N
XLogP4.18
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-pyrazol-1-ylbenzamide
CID 157014048
N-(4-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698189
2-chloro-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrazol-1-ylbenzamide
CID 119059713
methyl (2S,4R)-4-[(2-chloro-5-pyrazol-1-ylbenzoyl)amino]-1-methylpyrrolidine-2-carboxylate
CID 50956226
2-chloro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-pyrazol-1-ylbenzamide
CID 131924324
2-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-pyrazol-1-ylbenzamide
CID 77091034
N-(2-chlorophenyl)-6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800795
2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide
CID 39336179
2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide
CID 119060260
1-(3,4-dichlorophenyl)pyrazole
CID 20572459
3-methoxy-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31923113
2-chloro-N-[1-(methylcarbamoyl)cyclohexyl]-5-pyrazol-1-ylbenzamide
CID 77095745

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-5-pyrazol-1-ylbenzamide?
The IUPAC name of 2-chloro-N-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-5-pyrazol-1-ylbenzamide (CID 157017811) is 2-chloro-N-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-5-pyrazol-1-ylbenzamide.
What is the SMILES notation for 2-chloro-N-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-5-pyrazol-1-ylbenzamide?
The canonical SMILES for 2-chloro-N-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-5-pyrazol-1-ylbenzamide is COc1ccc(-c2cnc(NC(=O)c3cc(-n4cccn4)ccc3Cl)[nH]2)cc1.
What is the InChIKey of 2-chloro-N-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-5-pyrazol-1-ylbenzamide?
The InChIKey is UCFRGSZECSLGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c1-28-15-6-3-13(4-7-15)18-12-22-20(24-18)25-19(27)16-11-14(5-8-17(16)21)26-10-2-9-23-26/h2-12H,1H3,(H2,22,24,25,27).
What are the key properties of 2-chloro-N-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-5-pyrazol-1-ylbenzamide?
2-chloro-N-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-5-pyrazol-1-ylbenzamide has a molecular weight of 393.83 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-5-pyrazol-1-ylbenzamide is sourced from PubChem (CID 157017811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).