5-N-(2,3-dihydro-1H-benzimidazol-2-yl)-4-N-(2-methyl-4-piperazin-1-ylphenyl)-1H-imidazole-4,5-dicarboxamide

C23H26N8O2 — CID 71104125

IUPAC5-N-(2,3-dihydro-1H-benzimidazol-2-yl)-4-N-(2-methyl-4-piperazin-1-ylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1cc(N2CCNCC2)ccc1NC(=O)c1nc[nH]c1C(=O)NC1Nc2ccccc2N1
InChIInChI=1S/C23H26N8O2/c1-14-12-15(31-10-8-24-9-11-31)6-7-16(14)27-21(32)19-20(26-13-25-19)22(33)30-23-28-17-4-2-3-5-18(17)29-23/h2-7,12-13,23-24,28-29H,8-11H2,1H3,(H,25,26)(H,27,32)(H,30,33)
InChIKeyUUBAOAGBRNOKDU-UHFFFAOYSA-N
MW446.52 g/mol
LogP1.93
Rot. Bonds5

About 5-N-(2,3-dihydro-1H-benzimidazol-2-yl)-4-N-(2-methyl-4-piperazin-1-ylphenyl)-1H-imidazole-4,5-dicarboxamide

5-N-(2,3-dihydro-1H-benzimidazol-2-yl)-4-N-(2-methyl-4-piperazin-1-ylphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 71104125) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is 5-N-(2,3-dihydro-1H-benzimidazol-2-yl)-4-N-(2-methyl-4-piperazin-1-ylphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2,3-dihydro-1H-benzimidazol-2-yl)-4-N-(2-methyl-4-piperazin-1-ylphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID71104125
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC Name5-N-(2,3-dihydro-1H-benzimidazol-2-yl)-4-N-(2-methyl-4-piperazin-1-ylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1cc(N2CCNCC2)ccc1NC(=O)c1nc[nH]c1C(=O)NC1Nc2ccccc2N1
InChIInChI=1S/C23H26N8O2/c1-14-12-15(31-10-8-24-9-11-31)6-7-16(14)27-21(32)19-20(26-13-25-19)22(33)30-23-28-17-4-2-3-5-18(17)29-23/h2-7,12-13,23-24,28-29H,8-11H2,1H3,(H,25,26)(H,27,32)(H,30,33)
InChIKeyUUBAOAGBRNOKDU-UHFFFAOYSA-N
XLogP1.93
TPSA126.21 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.52
LogP ≤ 51.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-N-(2,3-dihydro-1H-benzimidazol-2-yl)-4-N-(2-methyl-4-piperazin-1-ylphenyl)-1H-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

3-methyl-N-(2-methyl-4-piperazin-1-ylphenyl)-4-piperazin-1-ylbenzamide;bis(2,2,2-trifluoroacetic acid)
CID 175769618
5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide
CID 143413657
5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 965334
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
N-(2-methyl-4-piperazin-1-ylphenyl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175769591
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
4-methyl-N-[2-(4-methylpiperidin-1-yl)-4-piperazin-1-ylphenyl]-1H-pyrrole-2-carboxamide
CID 70990978
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 17482365
3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide
CID 41399571
4-[(2-benzoyl-4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 959593
N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-4-propanoyl-1H-imidazole-5-carboxamide
CID 160550258
4-N-[4-[(2-fluoro-4-pyrrolidin-1-ylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424089

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,3-dihydro-1H-benzimidazol-2-yl)-4-N-(2-methyl-4-piperazin-1-ylphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(2,3-dihydro-1H-benzimidazol-2-yl)-4-N-(2-methyl-4-piperazin-1-ylphenyl)-1H-imidazole-4,5-dicarboxamide (CID 71104125) is 5-N-(2,3-dihydro-1H-benzimidazol-2-yl)-4-N-(2-methyl-4-piperazin-1-ylphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(2,3-dihydro-1H-benzimidazol-2-yl)-4-N-(2-methyl-4-piperazin-1-ylphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(2,3-dihydro-1H-benzimidazol-2-yl)-4-N-(2-methyl-4-piperazin-1-ylphenyl)-1H-imidazole-4,5-dicarboxamide is Cc1cc(N2CCNCC2)ccc1NC(=O)c1nc[nH]c1C(=O)NC1Nc2ccccc2N1.
What is the InChIKey of 5-N-(2,3-dihydro-1H-benzimidazol-2-yl)-4-N-(2-methyl-4-piperazin-1-ylphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is UUBAOAGBRNOKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-14-12-15(31-10-8-24-9-11-31)6-7-16(14)27-21(32)19-20(26-13-25-19)22(33)30-23-28-17-4-2-3-5-18(17)29-23/h2-7,12-13,23-24,28-29H,8-11H2,1H3,(H,25,26)(H,27,32)(H,30,33).
What are the key properties of 5-N-(2,3-dihydro-1H-benzimidazol-2-yl)-4-N-(2-methyl-4-piperazin-1-ylphenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-(2,3-dihydro-1H-benzimidazol-2-yl)-4-N-(2-methyl-4-piperazin-1-ylphenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 446.52 g/mol, XLogP of 1.93, 5 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,3-dihydro-1H-benzimidazol-2-yl)-4-N-(2-methyl-4-piperazin-1-ylphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 71104125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).