5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide

C22H22N6O2 — CID 24984418

IUPAC5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C22H22N6O2/c1-12(2)14-8-6-7-13(3)17(14)27-20(29)18-19(24-11-23-18)21(30)28-22-25-15-9-4-5-10-16(15)26-22/h4-12H,1-3H3,(H,23,24)(H,27,29)(H2,25,26,28,30)
InChIKeyNZSVXXCJZBNGNT-UHFFFAOYSA-N
MW402.46 g/mol
LogP4.22
Rot. Bonds5

About 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide

5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 24984418) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID24984418
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C22H22N6O2/c1-12(2)14-8-6-7-13(3)17(14)27-20(29)18-19(24-11-23-18)21(30)28-22-25-15-9-4-5-10-16(15)26-22/h4-12H,1-3H3,(H,23,24)(H,27,29)(H2,25,26,28,30)
InChIKeyNZSVXXCJZBNGNT-UHFFFAOYSA-N
XLogP4.22
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(1H-benzimidazol-2-yl)-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24985261
5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24984917
5-N-(1H-benzimidazol-2-yl)-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole-4,5-dicarboxamide
CID 24984746
5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide
CID 24984741
1-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4,5-dicarboxamide
CID 66623795
2-[2-[[5-(1H-benzimidazol-2-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]phenyl]ethylcarbamic acid
CID 68600786
5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 59349460
4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide
CID 24985262
5-N-(1H-benzimidazol-2-yl)-4-N-(4-piperidin-1-yloxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 91532883
5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 965334
2-[[2-[[4-[(2,4-dimethylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]oxy]propanoic acid
CID 66623441
4-[(2-chloro-6-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 66251830

Frequently Asked Questions

What is the IUPAC name of 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide (CID 24984418) is 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide is Cc1cccc(C(C)C)c1NC(=O)c1nc[nH]c1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is NZSVXXCJZBNGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-12(2)14-8-6-7-13(3)17(14)27-20(29)18-19(24-11-23-18)21(30)28-22-25-15-9-4-5-10-16(15)26-22/h4-12H,1-3H3,(H,23,24)(H,27,29)(H2,25,26,28,30).
What are the key properties of 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 402.46 g/mol, XLogP of 4.22, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 24984418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).