4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide

C25H31N5O2 — CID 44589177

IUPAC4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1ccc(N2CCN(CCCCNC(=O)c3ccc(-n4ccnc4)cc3)CC2)cc1
InChIInChI=1S/C25H31N5O2/c1-32-24-10-8-22(9-11-24)29-18-16-28(17-19-29)14-3-2-12-27-25(31)21-4-6-23(7-5-21)30-15-13-26-20-30/h4-11,13,15,20H,2-3,12,14,16-19H2,1H3,(H,27,31)
InChIKeyRLJNOVFKZCYMTH-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.21
Rot. Bonds9

About 4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide

4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide (PubChem CID 44589177) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide
PubChem CID44589177
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1ccc(N2CCN(CCCCNC(=O)c3ccc(-n4ccnc4)cc3)CC2)cc1
InChIInChI=1S/C25H31N5O2/c1-32-24-10-8-22(9-11-24)29-18-16-28(17-19-29)14-3-2-12-27-25(31)21-4-6-23(7-5-21)30-15-13-26-20-30/h4-11,13,15,20H,2-3,12,14,16-19H2,1H3,(H,27,31)
InChIKeyRLJNOVFKZCYMTH-UHFFFAOYSA-N
XLogP3.21
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-nitrobenzamide
CID 41277702
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide
CID 42609932
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 31568208
3-amino-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 35412998
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
4-cyano-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266430
N-[4-[4-[4-bromo-3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-4-methoxybenzamide
CID 90853118
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide
CID 42390380
N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide
CID 38336531

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of 4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide (CID 44589177) is 4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide is COc1ccc(N2CCN(CCCCNC(=O)c3ccc(-n4ccnc4)cc3)CC2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The InChIKey is RLJNOVFKZCYMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-32-24-10-8-22(9-11-24)29-18-16-28(17-19-29)14-3-2-12-27-25(31)21-4-6-23(7-5-21)30-15-13-26-20-30/h4-11,13,15,20H,2-3,12,14,16-19H2,1H3,(H,27,31).
What are the key properties of 4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide has a molecular weight of 433.56 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 44589177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).