4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide

C25H25N5O — CID 108885798

IUPAC4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc2nc[nH]c2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H25N5O/c31-25(28-21-11-12-22-23(17-21)27-18-26-22)30-15-13-29(14-16-30)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,24H,13-16H2,(H,26,27)(H,28,31)
InChIKeyZSXJYBBEXSPRMG-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.50
Rot. Bonds4

About 4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide

4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide (PubChem CID 108885798) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide
PubChem CID108885798
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc2nc[nH]c2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H25N5O/c31-25(28-21-11-12-22-23(17-21)27-18-26-22)30-15-13-29(14-16-30)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,24H,13-16H2,(H,26,27)(H,28,31)
InChIKeyZSXJYBBEXSPRMG-UHFFFAOYSA-N
XLogP4.50
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzhydrylpiperazin-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide
CID 108504765
4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692
N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
CID 2955113
N-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108886011
[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl] 3H-benzimidazole-5-carboxylate
CID 23744555
4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 2933426
4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755
N-(3H-benzimidazol-5-yl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108885802
N-(3H-benzimidazol-5-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521097
2-(azepan-1-yl)-N-(3H-benzimidazol-5-yl)-2-oxoacetamide
CID 108521221
4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 108871381

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of 4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide (CID 108885798) is 4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide is O=C(Nc1ccc2nc[nH]c2c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide?
The InChIKey is ZSXJYBBEXSPRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c31-25(28-21-11-12-22-23(17-21)27-18-26-22)30-15-13-29(14-16-30)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,24H,13-16H2,(H,26,27)(H,28,31).
What are the key properties of 4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide?
4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-N-(3H-benzimidazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 108885798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).