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

C22H22N6O2 — CID 66623082

IUPAC1-(1H-benzimidazol-2-yl)-4-N-(2-butylphenyl)imidazole-4,5-dicarboxamide
SMILESCCCCc1ccccc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O
InChIInChI=1S/C22H22N6O2/c1-2-3-8-14-9-4-5-10-15(14)25-21(30)18-19(20(23)29)28(13-24-18)22-26-16-11-6-7-12-17(16)27-22/h4-7,9-13H,2-3,8H2,1H3,(H2,23,29)(H,25,30)(H,26,27)
InChIKeyVMAOXUYXSUQICN-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.44
Rot. Bonds7

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

1-(1H-benzimidazol-2-yl)-4-N-(2-butylphenyl)imidazole-4,5-dicarboxamide (PubChem CID 66623082) 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-butylphenyl)imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-4-N-(2-butylphenyl)imidazole-4,5-dicarboxamide
PubChem CID66623082
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name1-(1H-benzimidazol-2-yl)-4-N-(2-butylphenyl)imidazole-4,5-dicarboxamide
SMILESCCCCc1ccccc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O
InChIInChI=1S/C22H22N6O2/c1-2-3-8-14-9-4-5-10-15(14)25-21(30)18-19(20(23)29)28(13-24-18)22-26-16-11-6-7-12-17(16)27-22/h4-7,9-13H,2-3,8H2,1H3,(H2,23,29)(H,25,30)(H,26,27)
InChIKeyVMAOXUYXSUQICN-UHFFFAOYSA-N
XLogP3.44
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(1H-benzimidazol-2-yl)-4-N-(2-butylphenyl)imidazole-4,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Alosetron
CID 2099
Alosetron Hydrochloride
CID 60758
2-(1,3-dimethylpyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 25190749
PKCbeta Inhibitor
CID 6419755
2-(1,2-dimethylpyrrolidin-2-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 11960530
2-[2-methyl-1-(propan-2-yl)pyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 11960533
2-[3-methyl-1-(propan-2-yl)pyrrolidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 11960635
2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 11960733
2-{1-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl}-1H-1,3-benzodiazole-4-carboxamide
CID 11961002
2-(1-propylpyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 18428039
2-[1-(propan-2-yl)pyrrolidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 18428130
1-(6-(4-(Cyclopropylcarbamoyl)-1H-imidazol-1-yl)-4-(pyridin-2-yl)-1H-benzo[d]imidazol-2-yl)-3-ethylurea
CID 24971306

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-4-N-(2-butylphenyl)imidazole-4,5-dicarboxamide?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-4-N-(2-butylphenyl)imidazole-4,5-dicarboxamide (CID 66623082) is 1-(1H-benzimidazol-2-yl)-4-N-(2-butylphenyl)imidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-4-N-(2-butylphenyl)imidazole-4,5-dicarboxamide?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-4-N-(2-butylphenyl)imidazole-4,5-dicarboxamide is CCCCc1ccccc1NC(=O)c1ncn(-c2nc3ccccc3[nH]2)c1C(N)=O.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-4-N-(2-butylphenyl)imidazole-4,5-dicarboxamide?
The InChIKey is VMAOXUYXSUQICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-2-3-8-14-9-4-5-10-15(14)25-21(30)18-19(20(23)29)28(13-24-18)22-26-16-11-6-7-12-17(16)27-22/h4-7,9-13H,2-3,8H2,1H3,(H2,23,29)(H,25,30)(H,26,27).
What are the key properties of 1-(1H-benzimidazol-2-yl)-4-N-(2-butylphenyl)imidazole-4,5-dicarboxamide?
1-(1H-benzimidazol-2-yl)-4-N-(2-butylphenyl)imidazole-4,5-dicarboxamide has a molecular weight of 402.46 g/mol, XLogP of 3.44, 7 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-butylphenyl)imidazole-4,5-dicarboxamide is sourced from PubChem (CID 66623082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).