N-(4-piperazin-1-ylphenyl)-5-(2,2,2-triphenylethyl)-1H-imidazole-2-carboxamide

C34H33N5O — CID 173223055

IUPACN-(4-piperazin-1-ylphenyl)-5-(2,2,2-triphenylethyl)-1H-imidazole-2-carboxamide
SMILESO=C(Nc1ccc(N2CCNCC2)cc1)c1ncc(CC(c2ccccc2)(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C34H33N5O/c40-33(38-29-16-18-31(19-17-29)39-22-20-35-21-23-39)32-36-25-30(37-32)24-34(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-19,25,35H,20-24H2,(H,36,37)(H,38,40)
InChIKeyCVJNTXOKRNLMIN-UHFFFAOYSA-N
MW527.67 g/mol
LogP5.65
Rot. Bonds8

About N-(4-piperazin-1-ylphenyl)-5-(2,2,2-triphenylethyl)-1H-imidazole-2-carboxamide

N-(4-piperazin-1-ylphenyl)-5-(2,2,2-triphenylethyl)-1H-imidazole-2-carboxamide (PubChem CID 173223055) has the molecular formula C34H33N5O and a molecular weight of 527.67 g/mol. Its IUPAC name is N-(4-piperazin-1-ylphenyl)-5-(2,2,2-triphenylethyl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-piperazin-1-ylphenyl)-5-(2,2,2-triphenylethyl)-1H-imidazole-2-carboxamide
PubChem CID173223055
Molecular FormulaC34H33N5O
Molecular Weight527.67 g/mol
Exact Mass527.27
IUPAC NameN-(4-piperazin-1-ylphenyl)-5-(2,2,2-triphenylethyl)-1H-imidazole-2-carboxamide
SMILESO=C(Nc1ccc(N2CCNCC2)cc1)c1ncc(CC(c2ccccc2)(c2ccccc2)c2ccccc2)[nH]1
InChIInChI=1S/C34H33N5O/c40-33(38-29-16-18-31(19-17-29)39-22-20-35-21-23-39)32-36-25-30(37-32)24-34(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-19,25,35H,20-24H2,(H,36,37)(H,38,40)
InChIKeyCVJNTXOKRNLMIN-UHFFFAOYSA-N
XLogP5.65
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-benzoylphenyl)-4-piperazin-1-ylbenzamide
CID 174547037
3-phenyl-N-(4-piperazin-1-ylphenyl)-1-propylpyrazole-5-carboxamide
CID 66738117
N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193461
2-hydroxy-N-phenyl-4-piperazin-1-ylbenzamide
CID 126622011
1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69448711
1-ethyl-1-methyl-3-(4-piperazin-1-ylphenyl)urea
CID 79159730
3-methyl-1-phenyl-N-(4-piperazin-1-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 66819349
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 155586911
2-chloro-4-fluoro-N-(4-piperazin-1-ylphenyl)benzamide;2,2,2-trifluoroacetic acid
CID 172895118
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
3-[4-(benzylamino)phenyl]-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628881

Frequently Asked Questions

What is the IUPAC name of N-(4-piperazin-1-ylphenyl)-5-(2,2,2-triphenylethyl)-1H-imidazole-2-carboxamide?
The IUPAC name of N-(4-piperazin-1-ylphenyl)-5-(2,2,2-triphenylethyl)-1H-imidazole-2-carboxamide (CID 173223055) is N-(4-piperazin-1-ylphenyl)-5-(2,2,2-triphenylethyl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-(4-piperazin-1-ylphenyl)-5-(2,2,2-triphenylethyl)-1H-imidazole-2-carboxamide?
The canonical SMILES for N-(4-piperazin-1-ylphenyl)-5-(2,2,2-triphenylethyl)-1H-imidazole-2-carboxamide is O=C(Nc1ccc(N2CCNCC2)cc1)c1ncc(CC(c2ccccc2)(c2ccccc2)c2ccccc2)[nH]1.
What is the InChIKey of N-(4-piperazin-1-ylphenyl)-5-(2,2,2-triphenylethyl)-1H-imidazole-2-carboxamide?
The InChIKey is CVJNTXOKRNLMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N5O/c40-33(38-29-16-18-31(19-17-29)39-22-20-35-21-23-39)32-36-25-30(37-32)24-34(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-19,25,35H,20-24H2,(H,36,37)(H,38,40).
What are the key properties of N-(4-piperazin-1-ylphenyl)-5-(2,2,2-triphenylethyl)-1H-imidazole-2-carboxamide?
N-(4-piperazin-1-ylphenyl)-5-(2,2,2-triphenylethyl)-1H-imidazole-2-carboxamide has a molecular weight of 527.67 g/mol, XLogP of 5.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperazin-1-ylphenyl)-5-(2,2,2-triphenylethyl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 173223055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).