4-imidazol-1-yl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide

C24H29N5O2 — CID 44589175

IUPAC4-imidazol-1-yl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C24H29N5O2/c1-31-23-6-3-2-5-22(23)28-17-15-27(16-18-28)13-4-11-26-24(30)20-7-9-21(10-8-20)29-14-12-25-19-29/h2-3,5-10,12,14,19H,4,11,13,15-18H2,1H3,(H,26,30)
InChIKeyRFBKHFYKBNFXJB-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.82
Rot. Bonds8

About 4-imidazol-1-yl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide

4-imidazol-1-yl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide (PubChem CID 44589175) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
PubChem CID44589175
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name4-imidazol-1-yl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2ccc(-n3ccnc3)cc2)CC1
InChIInChI=1S/C24H29N5O2/c1-31-23-6-3-2-5-22(23)28-17-15-27(16-18-28)13-4-11-26-24(30)20-7-9-21(10-8-20)29-14-12-25-19-29/h2-3,5-10,12,14,19H,4,11,13,15-18H2,1H3,(H,26,30)
InChIKeyRFBKHFYKBNFXJB-UHFFFAOYSA-N
XLogP2.82
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.82
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-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide?
The IUPAC name of 4-imidazol-1-yl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide (CID 44589175) is 4-imidazol-1-yl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide is COc1ccccc1N1CCN(CCCNC(=O)c2ccc(-n3ccnc3)cc2)CC1.
What is the InChIKey of 4-imidazol-1-yl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide?
The InChIKey is RFBKHFYKBNFXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-31-23-6-3-2-5-22(23)28-17-15-27(16-18-28)13-4-11-26-24(30)20-7-9-21(10-8-20)29-14-12-25-19-29/h2-3,5-10,12,14,19H,4,11,13,15-18H2,1H3,(H,26,30).
What are the key properties of 4-imidazol-1-yl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide?
4-imidazol-1-yl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide has a molecular weight of 419.53 g/mol, XLogP of 2.82, 8 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-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 44589175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).