4-imidazol-1-yl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide

C25H31N5O2 — CID 11568232

IUPAC4-imidazol-1-yl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C25H31N5O2/c1-32-24-7-3-2-6-23(24)29-18-16-28(17-19-29)14-5-4-12-27-25(31)21-8-10-22(11-9-21)30-15-13-26-20-30/h2-3,6-11,13,15,20H,4-5,12,14,16-19H2,1H3,(H,27,31)
InChIKeyNTASTGHPPLINPW-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.21
Rot. Bonds9

About 4-imidazol-1-yl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide

4-imidazol-1-yl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide (PubChem CID 11568232) 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-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
PubChem CID11568232
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name4-imidazol-1-yl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C25H31N5O2/c1-32-24-7-3-2-6-23(24)29-18-16-28(17-19-29)14-5-4-12-27-25(31)21-8-10-22(11-9-21)30-15-13-26-20-30/h2-3,6-11,13,15,20H,4-5,12,14,16-19H2,1H3,(H,27,31)
InChIKeyNTASTGHPPLINPW-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of 4-imidazol-1-yl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide (CID 11568232) is 4-imidazol-1-yl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide is COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-n3ccnc3)cc2)CC1.
What is the InChIKey of 4-imidazol-1-yl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The InChIKey is NTASTGHPPLINPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-32-24-7-3-2-6-23(24)29-18-16-28(17-19-29)14-5-4-12-27-25(31)21-8-10-22(11-9-21)30-15-13-26-20-30/h2-3,6-11,13,15,20H,4-5,12,14,16-19H2,1H3,(H,27,31).
What are the key properties of 4-imidazol-1-yl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
4-imidazol-1-yl-N-[4-[4-(2-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-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 11568232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).