4-[(Z)-6-methyl-3-methylidenehept-1-enyl]-2,3-dihydro-1H-imidazole

C12H20N2 — CID 121420144

IUPAC4-[(Z)-6-methyl-3-methylidenehept-1-enyl]-2,3-dihydro-1H-imidazole
SMILESC=C(/C=C\C1=CNCN1)CCC(C)C
InChIInChI=1S/C12H20N2/c1-10(2)4-5-11(3)6-7-12-8-13-9-14-12/h6-8,10,13-14H,3-5,9H2,1-2H3/b7-6-
InChIKeyOCQNLDFOQVIKPY-SREVYHEPSA-N
MW192.31 g/mol
LogP2.53
Rot. Bonds5

About 4-[(Z)-6-methyl-3-methylidenehept-1-enyl]-2,3-dihydro-1H-imidazole

4-[(Z)-6-methyl-3-methylidenehept-1-enyl]-2,3-dihydro-1H-imidazole (PubChem CID 121420144) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-[(Z)-6-methyl-3-methylidenehept-1-enyl]-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-[(Z)-6-methyl-3-methylidenehept-1-enyl]-2,3-dihydro-1H-imidazole
PubChem CID121420144
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-[(Z)-6-methyl-3-methylidenehept-1-enyl]-2,3-dihydro-1H-imidazole
SMILESC=C(/C=C\C1=CNCN1)CCC(C)C
InChIInChI=1S/C12H20N2/c1-10(2)4-5-11(3)6-7-12-8-13-9-14-12/h6-8,10,13-14H,3-5,9H2,1-2H3/b7-6-
InChIKeyOCQNLDFOQVIKPY-SREVYHEPSA-N
XLogP2.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-6-methyl-3-methylidenehept-1-enyl]-2,3-dihydro-1H-imidazole?
The IUPAC name of 4-[(Z)-6-methyl-3-methylidenehept-1-enyl]-2,3-dihydro-1H-imidazole (CID 121420144) is 4-[(Z)-6-methyl-3-methylidenehept-1-enyl]-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 4-[(Z)-6-methyl-3-methylidenehept-1-enyl]-2,3-dihydro-1H-imidazole?
The canonical SMILES for 4-[(Z)-6-methyl-3-methylidenehept-1-enyl]-2,3-dihydro-1H-imidazole is C=C(/C=C\C1=CNCN1)CCC(C)C.
What is the InChIKey of 4-[(Z)-6-methyl-3-methylidenehept-1-enyl]-2,3-dihydro-1H-imidazole?
The InChIKey is OCQNLDFOQVIKPY-SREVYHEPSA-N. The full InChI is InChI=1S/C12H20N2/c1-10(2)4-5-11(3)6-7-12-8-13-9-14-12/h6-8,10,13-14H,3-5,9H2,1-2H3/b7-6-.
What are the key properties of 4-[(Z)-6-methyl-3-methylidenehept-1-enyl]-2,3-dihydro-1H-imidazole?
4-[(Z)-6-methyl-3-methylidenehept-1-enyl]-2,3-dihydro-1H-imidazole has a molecular weight of 192.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-6-methyl-3-methylidenehept-1-enyl]-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 121420144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).