4-[5-(1-methylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]benzamide

C22H17N7O — CID 137394108

IUPAC4-[5-(1-methylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]benzamide
SMILESCn1ccc(-c2[nH]c(-c3ccc(C(N)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C22H17N7O/c1-29-11-8-17(28-29)20-19(15-6-7-16-18(12-15)25-10-9-24-16)26-22(27-20)14-4-2-13(3-5-14)21(23)30/h2-12H,1H3,(H2,23,30)(H,26,27)
InChIKeyXKVIFUWILCMYPG-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.19
Rot. Bonds4

About 4-[5-(1-methylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]benzamide

4-[5-(1-methylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]benzamide (PubChem CID 137394108) has the molecular formula C22H17N7O and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-[5-(1-methylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-(1-methylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]benzamide
PubChem CID137394108
Molecular FormulaC22H17N7O
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC Name4-[5-(1-methylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]benzamide
SMILESCn1ccc(-c2[nH]c(-c3ccc(C(N)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C22H17N7O/c1-29-11-8-17(28-29)20-19(15-6-7-16-18(12-15)25-10-9-24-16)26-22(27-20)14-4-2-13(3-5-14)21(23)30/h2-12H,1H3,(H2,23,30)(H,26,27)
InChIKeyXKVIFUWILCMYPG-UHFFFAOYSA-N
XLogP3.19
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]-N,N-dimethylbenzamide
CID 137394119
4-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,2,4-triazol-3-yl]benzamide
CID 142669601
4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide
CID 11518009
[4-[4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazol-2-yl]phenyl]-(methylamino)methanol
CID 137394174
ethyl 4-(1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)-1H-imidazole-2-carboxylate
CID 154607822
2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 44542664
2-(4-aminophenyl)-3H-benzimidazol-5-amine;benzene-1,4-dicarboxamide
CID 174846726
4-(1H-benzimidazol-2-yl)benzamide
CID 56736972
4-[5-(2-benzyl-1,3-dioxol-4-yl)-4-pyridin-2-yl-1H-imidazol-2-yl]benzamide
CID 67534698
3-fluoro-N-[[5-(1-propan-2-ylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]aniline
CID 137394459
4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731138
4-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 10026189

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]benzamide?
The IUPAC name of 4-[5-(1-methylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]benzamide (CID 137394108) is 4-[5-(1-methylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]benzamide.
What is the SMILES notation for 4-[5-(1-methylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]benzamide?
The canonical SMILES for 4-[5-(1-methylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]benzamide is Cn1ccc(-c2[nH]c(-c3ccc(C(N)=O)cc3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 4-[5-(1-methylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]benzamide?
The InChIKey is XKVIFUWILCMYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O/c1-29-11-8-17(28-29)20-19(15-6-7-16-18(12-15)25-10-9-24-16)26-22(27-20)14-4-2-13(3-5-14)21(23)30/h2-12H,1H3,(H2,23,30)(H,26,27).
What are the key properties of 4-[5-(1-methylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]benzamide?
4-[5-(1-methylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]benzamide has a molecular weight of 395.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]benzamide is sourced from PubChem (CID 137394108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).