1-[2-[5-[(Z)-hex-3-enyl]-4-phenylimidazol-1-yl]ethyl]-4-methylpiperazine

C22H32N4 — CID 50973296

IUPAC1-[2-[5-[(Z)-hex-3-enyl]-4-phenylimidazol-1-yl]ethyl]-4-methylpiperazine
SMILESCC/C=C\CCc1c(-c2ccccc2)ncn1CCN1CCN(C)CC1
InChIInChI=1S/C22H32N4/c1-3-4-5-9-12-21-22(20-10-7-6-8-11-20)23-19-26(21)18-17-25-15-13-24(2)14-16-25/h4-8,10-11,19H,3,9,12-18H2,1-2H3/b5-4-
InChIKeyMJBGDLPFDUUKID-PLNGDYQASA-N
MW352.53 g/mol
LogP3.70
Rot. Bonds8

About 1-[2-[5-[(Z)-hex-3-enyl]-4-phenylimidazol-1-yl]ethyl]-4-methylpiperazine

1-[2-[5-[(Z)-hex-3-enyl]-4-phenylimidazol-1-yl]ethyl]-4-methylpiperazine (PubChem CID 50973296) has the molecular formula C22H32N4 and a molecular weight of 352.53 g/mol. Its IUPAC name is 1-[2-[5-[(Z)-hex-3-enyl]-4-phenylimidazol-1-yl]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[5-[(Z)-hex-3-enyl]-4-phenylimidazol-1-yl]ethyl]-4-methylpiperazine
PubChem CID50973296
Molecular FormulaC22H32N4
Molecular Weight352.53 g/mol
Exact Mass352.26
IUPAC Name1-[2-[5-[(Z)-hex-3-enyl]-4-phenylimidazol-1-yl]ethyl]-4-methylpiperazine
SMILESCC/C=C\CCc1c(-c2ccccc2)ncn1CCN1CCN(C)CC1
InChIInChI=1S/C22H32N4/c1-3-4-5-9-12-21-22(20-10-7-6-8-11-20)23-19-26(21)18-17-25-15-13-24(2)14-16-25/h4-8,10-11,19H,3,9,12-18H2,1-2H3/b5-4-
InChIKeyMJBGDLPFDUUKID-PLNGDYQASA-N
XLogP3.70
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[(Z)-hex-3-enyl]-4-phenylimidazol-1-yl]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[5-[(Z)-hex-3-enyl]-4-phenylimidazol-1-yl]ethyl]-4-methylpiperazine (CID 50973296) is 1-[2-[5-[(Z)-hex-3-enyl]-4-phenylimidazol-1-yl]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[5-[(Z)-hex-3-enyl]-4-phenylimidazol-1-yl]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[5-[(Z)-hex-3-enyl]-4-phenylimidazol-1-yl]ethyl]-4-methylpiperazine is CC/C=C\CCc1c(-c2ccccc2)ncn1CCN1CCN(C)CC1.
What is the InChIKey of 1-[2-[5-[(Z)-hex-3-enyl]-4-phenylimidazol-1-yl]ethyl]-4-methylpiperazine?
The InChIKey is MJBGDLPFDUUKID-PLNGDYQASA-N. The full InChI is InChI=1S/C22H32N4/c1-3-4-5-9-12-21-22(20-10-7-6-8-11-20)23-19-26(21)18-17-25-15-13-24(2)14-16-25/h4-8,10-11,19H,3,9,12-18H2,1-2H3/b5-4-.
What are the key properties of 1-[2-[5-[(Z)-hex-3-enyl]-4-phenylimidazol-1-yl]ethyl]-4-methylpiperazine?
1-[2-[5-[(Z)-hex-3-enyl]-4-phenylimidazol-1-yl]ethyl]-4-methylpiperazine has a molecular weight of 352.53 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[(Z)-hex-3-enyl]-4-phenylimidazol-1-yl]ethyl]-4-methylpiperazine is sourced from PubChem (CID 50973296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).