4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide

C20H18N6O3 — CID 24985262

IUPAC4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide
SMILESCOc1cccc(CNC(=O)c2[nH]cnc2C(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H18N6O3/c1-29-13-6-4-5-12(9-13)10-21-18(27)16-17(23-11-22-16)19(28)26-20-24-14-7-2-3-8-15(14)25-20/h2-9,11H,10H2,1H3,(H,21,27)(H,22,23)(H2,24,25,26,28)
InChIKeyAITNXGXUDYMIQT-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.48
Rot. Bonds6

About 4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide

4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide (PubChem CID 24985262) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is 4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide
PubChem CID24985262
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC Name4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide
SMILESCOc1cccc(CNC(=O)c2[nH]cnc2C(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H18N6O3/c1-29-13-6-4-5-12(9-13)10-21-18(27)16-17(23-11-22-16)19(28)26-20-24-14-7-2-3-8-15(14)25-20/h2-9,11H,10H2,1H3,(H,21,27)(H,22,23)(H2,24,25,26,28)
InChIKeyAITNXGXUDYMIQT-UHFFFAOYSA-N
XLogP2.48
TPSA124.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(1H-benzimidazol-2-yl)-4-N-(4-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24984917
5-N-benzyl-4-N-(3-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736413
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide
CID 53011843
5-N-(1H-benzimidazol-2-yl)-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24985261
4-N-(2,4-dimethylphenyl)-5-N-(6-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
CID 24984419
5-N-(1H-benzimidazol-2-yl)-4-N-[2-(trifluoromethyl)phenyl]-1H-imidazole-4,5-dicarboxamide
CID 24984741
5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24985602
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide
CID 53199724
5-N-[6-(benzylcarbamoylamino)oxy-1H-benzimidazol-2-yl]-4-N-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 59349439
5-N-benzyl-4-N-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736412
5-N-(1H-benzimidazol-2-yl)-4-N-(2-methyl-6-propan-2-ylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24984418
2-[2-[[5-(1H-benzimidazol-2-ylcarbamoyl)-1H-imidazole-4-carbonyl]amino]phenyl]ethylcarbamic acid
CID 68600786

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide (CID 24985262) is 4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide is COc1cccc(CNC(=O)c2[nH]cnc2C(=O)Nc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide?
The InChIKey is AITNXGXUDYMIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-29-13-6-4-5-12(9-13)10-21-18(27)16-17(23-11-22-16)19(28)26-20-24-14-7-2-3-8-15(14)25-20/h2-9,11H,10H2,1H3,(H,21,27)(H,22,23)(H2,24,25,26,28).
What are the key properties of 4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide?
4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide has a molecular weight of 390.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-benzimidazol-2-yl)-5-N-[(3-methoxyphenyl)methyl]-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 24985262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).