2-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]-3H-benzimidazole-5-carboxamide

C25H25N5O — CID 141015107

IUPAC2-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(N3CCN(Cc4ccccc4-c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C25H25N5O/c26-24(31)19-10-11-22-23(16-19)28-25(27-22)30-14-12-29(13-15-30)17-20-8-4-5-9-21(20)18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H2,26,31)(H,27,28)
InChIKeySTAXFWCLZXPGEH-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.65
Rot. Bonds5

About 2-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]-3H-benzimidazole-5-carboxamide

2-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 141015107) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]-3H-benzimidazole-5-carboxamide
PubChem CID141015107
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name2-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(N3CCN(Cc4ccccc4-c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C25H25N5O/c26-24(31)19-10-11-22-23(16-19)28-25(27-22)30-14-12-29(13-15-30)17-20-8-4-5-9-21(20)18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H2,26,31)(H,27,28)
InChIKeySTAXFWCLZXPGEH-UHFFFAOYSA-N
XLogP3.65
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]-3H-benzimidazole-5-carboxamide 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

2-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]-3H-benzimidazole-5-carboxamide
CID 68909298
2-piperidin-1-yl-3H-benzimidazole-5-carboxylic acid
CID 82563117
2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxamide
CID 58188619
2-(4-benzylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide
CID 18428214
1-[2-(4-benzylpiperidin-1-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 147321423
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 44565640
4-[4-[[2-(4-iodophenyl)phenyl]methyl]piperazin-1-yl]benzoic acid
CID 70305615
2-hydroxy-1-phenyl-2-[4-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]phenyl]ethanone
CID 68584959
4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid
CID 18425264
2-[2-(morpholin-4-ylmethyl)phenyl]pyridine-4-carboxamide
CID 50967003
1-[(2-phenylphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 44756170
2-[4-[(1-benzylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
CID 11524997

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]-3H-benzimidazole-5-carboxamide (CID 141015107) is 2-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(N3CCN(Cc4ccccc4-c4ccccc4)CC3)[nH]c2c1.
What is the InChIKey of 2-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is STAXFWCLZXPGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c26-24(31)19-10-11-22-23(16-19)28-25(27-22)30-14-12-29(13-15-30)17-20-8-4-5-9-21(20)18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H2,26,31)(H,27,28).
What are the key properties of 2-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]-3H-benzimidazole-5-carboxamide?
2-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 141015107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).