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

C22H22N6O2 — CID 66623795

IUPAC1-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4,5-dicarboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O
InChIInChI=1S/C22H22N6O2/c1-12(2)14-8-6-7-13(3)17(14)27-21(30)18-19(20(23)29)28(11-24-18)22-25-15-9-4-5-10-16(15)26-22/h4-12H,1-3H3,(H2,23,29)(H,25,26)(H,27,30)
InChIKeyNPAIIAFZWKLMOQ-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.53
Rot. Bonds5

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

1-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4,5-dicarboxamide (PubChem CID 66623795) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4,5-dicarboxamide
PubChem CID66623795
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name1-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4,5-dicarboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O
InChIInChI=1S/C22H22N6O2/c1-12(2)14-8-6-7-13(3)17(14)27-21(30)18-19(20(23)29)28(11-24-18)22-25-15-9-4-5-10-16(15)26-22/h4-12H,1-3H3,(H2,23,29)(H,25,26)(H,27,30)
InChIKeyNPAIIAFZWKLMOQ-UHFFFAOYSA-N
XLogP3.53
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-benzimidazol-2-yl)-4-N-(2-butylphenyl)imidazole-4,5-dicarboxamide
CID 66623082
5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24984418
1-(1H-benzimidazol-2-yl)-4-N-[4-(1-ethylpiperidin-4-yl)oxy-2-methylphenyl]imidazole-4,5-dicarboxamide
CID 66623786
1-(1H-benzimidazol-2-yl)-5-N-(2-methylsulfanylphenyl)imidazole-4,5-dicarboxamide
CID 66622896
4-amino-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 65355014
2-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 86885522
5-amino-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 82546319
4-amino-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-5-carboxamide
CID 65356006
N-(2-methyl-6-propan-2-ylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648710
5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788845
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 4106952

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4,5-dicarboxamide?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4,5-dicarboxamide (CID 66623795) is 1-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4,5-dicarboxamide?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4,5-dicarboxamide is Cc1cccc(C(C)C)c1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4,5-dicarboxamide?
The InChIKey is NPAIIAFZWKLMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-12(2)14-8-6-7-13(3)17(14)27-21(30)18-19(20(23)29)28(11-24-18)22-25-15-9-4-5-10-16(15)26-22/h4-12H,1-3H3,(H2,23,29)(H,25,26)(H,27,30).
What are the key properties of 1-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4,5-dicarboxamide?
1-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4,5-dicarboxamide has a molecular weight of 402.46 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)imidazole-4,5-dicarboxamide is sourced from PubChem (CID 66623795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).