1-methyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole

C22H42N2 — CID 67842211

IUPAC1-methyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole
SMILESCCCCCCCC/C=C\CCCCCCCCC1=NCCN1C
InChIInChI=1S/C22H42N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23-20-21-24(22)2/h10-11H,3-9,12-21H2,1-2H3/b11-10-
InChIKeyCIYIWOYRHLMKQK-KHPPLWFESA-N
MW334.59 g/mol
LogP6.76
Rot. Bonds16

About 1-methyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole

1-methyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole (PubChem CID 67842211) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 1-methyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-methyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole
PubChem CID67842211
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name1-methyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole
SMILESCCCCCCCC/C=C\CCCCCCCCC1=NCCN1C
InChIInChI=1S/C22H42N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23-20-21-24(22)2/h10-11H,3-9,12-21H2,1-2H3/b11-10-
InChIKeyCIYIWOYRHLMKQK-KHPPLWFESA-N
XLogP6.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole?
The IUPAC name of 1-methyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole (CID 67842211) is 1-methyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-methyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-methyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole is CCCCCCCC/C=C\CCCCCCCCC1=NCCN1C.
What is the InChIKey of 1-methyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole?
The InChIKey is CIYIWOYRHLMKQK-KHPPLWFESA-N. The full InChI is InChI=1S/C22H42N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23-20-21-24(22)2/h10-11H,3-9,12-21H2,1-2H3/b11-10-.
What are the key properties of 1-methyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole?
1-methyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole has a molecular weight of 334.59 g/mol, XLogP of 6.76, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazole is sourced from PubChem (CID 67842211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).