4-N-(1H-benzimidazol-2-yl)-5-N-methyl-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide

C20H18N6O2 — CID 24985606

IUPAC4-N-(1H-benzimidazol-2-yl)-5-N-methyl-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccccc1N(C)C(=O)c1[nH]cnc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C20H18N6O2/c1-12-7-3-6-10-15(12)26(2)19(28)17-16(21-11-22-17)18(27)25-20-23-13-8-4-5-9-14(13)24-20/h3-11H,1-2H3,(H,21,22)(H2,23,24,25,27)
InChIKeyWYUZPYPNXBQTJX-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.12
Rot. Bonds4

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

4-N-(1H-benzimidazol-2-yl)-5-N-methyl-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 24985606) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-N-(1H-benzimidazol-2-yl)-5-N-methyl-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(1H-benzimidazol-2-yl)-5-N-methyl-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID24985606
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name4-N-(1H-benzimidazol-2-yl)-5-N-methyl-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccccc1N(C)C(=O)c1[nH]cnc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C20H18N6O2/c1-12-7-3-6-10-15(12)26(2)19(28)17-16(21-11-22-17)18(27)25-20-23-13-8-4-5-9-14(13)24-20/h3-11H,1-2H3,(H,21,22)(H2,23,24,25,27)
InChIKeyWYUZPYPNXBQTJX-UHFFFAOYSA-N
XLogP3.12
TPSA106.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-benzimidazol-2-yl)-5-N-methyl-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-(1H-benzimidazol-2-yl)-5-N-methyl-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide (CID 24985606) is 4-N-(1H-benzimidazol-2-yl)-5-N-methyl-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(1H-benzimidazol-2-yl)-5-N-methyl-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-(1H-benzimidazol-2-yl)-5-N-methyl-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide is Cc1ccccc1N(C)C(=O)c1[nH]cnc1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of 4-N-(1H-benzimidazol-2-yl)-5-N-methyl-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is WYUZPYPNXBQTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-12-7-3-6-10-15(12)26(2)19(28)17-16(21-11-22-17)18(27)25-20-23-13-8-4-5-9-14(13)24-20/h3-11H,1-2H3,(H,21,22)(H2,23,24,25,27).
What are the key properties of 4-N-(1H-benzimidazol-2-yl)-5-N-methyl-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
4-N-(1H-benzimidazol-2-yl)-5-N-methyl-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-benzimidazol-2-yl)-5-N-methyl-5-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 24985606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).