1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]imidazole

C18H26N2 — CID 44570773

IUPAC1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]imidazole
SMILESC=C[C@]1(C)CC[C@@H](C(=C)Cn2ccnc2)C[C@H]1C(=C)C
InChIInChI=1S/C18H26N2/c1-6-18(5)8-7-16(11-17(18)14(2)3)15(4)12-20-10-9-19-13-20/h6,9-10,13,16-17H,1-2,4,7-8,11-12H2,3,5H3/t16-,17+,18-/m1/s1
InChIKeyVPNLVOGJYYOARN-FGTMMUONSA-N
MW270.42 g/mol
LogP4.62
Rot. Bonds5

About 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]imidazole

1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]imidazole (PubChem CID 44570773) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]imidazole.

Molecular Properties

Compound Name1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]imidazole
PubChem CID44570773
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]imidazole
SMILESC=C[C@]1(C)CC[C@@H](C(=C)Cn2ccnc2)C[C@H]1C(=C)C
InChIInChI=1S/C18H26N2/c1-6-18(5)8-7-16(11-17(18)14(2)3)15(4)12-20-10-9-19-13-20/h6,9-10,13,16-17H,1-2,4,7-8,11-12H2,3,5H3/t16-,17+,18-/m1/s1
InChIKeyVPNLVOGJYYOARN-FGTMMUONSA-N
XLogP4.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]imidazole?
The IUPAC name of 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]imidazole (CID 44570773) is 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]imidazole.
What is the SMILES notation for 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]imidazole?
The canonical SMILES for 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]imidazole is C=C[C@]1(C)CC[C@@H](C(=C)Cn2ccnc2)C[C@H]1C(=C)C.
What is the InChIKey of 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]imidazole?
The InChIKey is VPNLVOGJYYOARN-FGTMMUONSA-N. The full InChI is InChI=1S/C18H26N2/c1-6-18(5)8-7-16(11-17(18)14(2)3)15(4)12-20-10-9-19-13-20/h6,9-10,13,16-17H,1-2,4,7-8,11-12H2,3,5H3/t16-,17+,18-/m1/s1.
What are the key properties of 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]imidazole?
1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]imidazole has a molecular weight of 270.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]imidazole is sourced from PubChem (CID 44570773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).