4-imidazol-1-yl-N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]benzamide

C25H31N5O2 — CID 44589130

IUPAC4-imidazol-1-yl-N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1cccc(N2CCN(CCCCNC(=O)c3ccc(-n4ccnc4)cc3)CC2)c1
InChIInChI=1S/C25H31N5O2/c1-32-24-6-4-5-23(19-24)29-17-15-28(16-18-29)13-3-2-11-27-25(31)21-7-9-22(10-8-21)30-14-12-26-20-30/h4-10,12,14,19-20H,2-3,11,13,15-18H2,1H3,(H,27,31)
InChIKeyQSHZDFROGASVTB-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.21
Rot. Bonds9

About 4-imidazol-1-yl-N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]benzamide

4-imidazol-1-yl-N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]benzamide (PubChem CID 44589130) 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-(3-methoxyphenyl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]benzamide
PubChem CID44589130
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name4-imidazol-1-yl-N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1cccc(N2CCN(CCCCNC(=O)c3ccc(-n4ccnc4)cc3)CC2)c1
InChIInChI=1S/C25H31N5O2/c1-32-24-6-4-5-23(19-24)29-17-15-28(16-18-29)13-3-2-11-27-25(31)21-7-9-22(10-8-21)30-14-12-26-20-30/h4-10,12,14,19-20H,2-3,11,13,15-18H2,1H3,(H,27,31)
InChIKeyQSHZDFROGASVTB-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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Related Compounds

N-((Z)-1-(((3-(1H-Imidazol-1-YL)propyl)amino)carbonyl)-2-(4-methoxyphenyl)ethenyl)-4-methylbenzamide
CID 2874948
4-((1-(2-(1H-imidazol-2-yl)ethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)-N,N-diethylbenzamide
CID 45486102
N-[4-(1H-imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide
CID 5301742
N-[3-(2-Cyano-5-imidazol-1-ylmethyl-phenoxy)-phenyl]-benzamide
CID 21697108
1-[(4-Fluorophenyl)methyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one
CID 25226851
3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylbenzamide
CID 44188382
3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-methylbenzamide
CID 44188551
3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide
CID 52935148
N-(3-((5-Methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)benzamide
CID 52947137
(E)-4-Fluoro-N-(1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-6-(pyridin-2-yloxy)-1H-benzo[d]imidazol-2(3H)-ylidene)benzamide
CID 56650693
[1-(3-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 71307820
N-[(3S)-1-[(4-bromophenyl)methyl]piperidin-3-yl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 72946298

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of 4-imidazol-1-yl-N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]benzamide (CID 44589130) is 4-imidazol-1-yl-N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]benzamide is COc1cccc(N2CCN(CCCCNC(=O)c3ccc(-n4ccnc4)cc3)CC2)c1.
What is the InChIKey of 4-imidazol-1-yl-N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The InChIKey is QSHZDFROGASVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-32-24-6-4-5-23(19-24)29-17-15-28(16-18-29)13-3-2-11-27-25(31)21-7-9-22(10-8-21)30-14-12-26-20-30/h4-10,12,14,19-20H,2-3,11,13,15-18H2,1H3,(H,27,31).
What are the key properties of 4-imidazol-1-yl-N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
4-imidazol-1-yl-N-[4-[4-(3-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-(3-methoxyphenyl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 44589130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).