1-(4,5-dimethyl-3-propan-2-ylhex-1-en-2-yl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-2H-imidazole

C21H36N2 — CID 139523372

IUPAC1-(4,5-dimethyl-3-propan-2-ylhex-1-en-2-yl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-2H-imidazole
SMILESC=C(C(C(C)C)C(C)C(C)C)N1C=C(C(/C=C\C)=C/C)N(C)C1
InChIInChI=1S/C21H36N2/c1-10-12-19(11-2)20-13-23(14-22(20)9)18(8)21(16(5)6)17(7)15(3)4/h10-13,15-17,21H,8,14H2,1-7,9H3/b12-10-,19-11+
InChIKeySYEQKIBTVVBDBJ-VGQLWJRTSA-N
MW316.53 g/mol
LogP5.63
Rot. Bonds7

About 1-(4,5-dimethyl-3-propan-2-ylhex-1-en-2-yl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-2H-imidazole

1-(4,5-dimethyl-3-propan-2-ylhex-1-en-2-yl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-2H-imidazole (PubChem CID 139523372) has the molecular formula C21H36N2 and a molecular weight of 316.53 g/mol. Its IUPAC name is 1-(4,5-dimethyl-3-propan-2-ylhex-1-en-2-yl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-(4,5-dimethyl-3-propan-2-ylhex-1-en-2-yl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-2H-imidazole
PubChem CID139523372
Molecular FormulaC21H36N2
Molecular Weight316.53 g/mol
Exact Mass316.29
IUPAC Name1-(4,5-dimethyl-3-propan-2-ylhex-1-en-2-yl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-2H-imidazole
SMILESC=C(C(C(C)C)C(C)C(C)C)N1C=C(C(/C=C\C)=C/C)N(C)C1
InChIInChI=1S/C21H36N2/c1-10-12-19(11-2)20-13-23(14-22(20)9)18(8)21(16(5)6)17(7)15(3)4/h10-13,15-17,21H,8,14H2,1-7,9H3/b12-10-,19-11+
InChIKeySYEQKIBTVVBDBJ-VGQLWJRTSA-N
XLogP5.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 55.63
H-Bond Donors ≤ 50
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 1-(4,5-dimethyl-3-propan-2-ylhex-1-en-2-yl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-2H-imidazole?
The IUPAC name of 1-(4,5-dimethyl-3-propan-2-ylhex-1-en-2-yl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-2H-imidazole (CID 139523372) is 1-(4,5-dimethyl-3-propan-2-ylhex-1-en-2-yl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-2H-imidazole.
What is the SMILES notation for 1-(4,5-dimethyl-3-propan-2-ylhex-1-en-2-yl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-2H-imidazole?
The canonical SMILES for 1-(4,5-dimethyl-3-propan-2-ylhex-1-en-2-yl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-2H-imidazole is C=C(C(C(C)C)C(C)C(C)C)N1C=C(C(/C=C\C)=C/C)N(C)C1.
What is the InChIKey of 1-(4,5-dimethyl-3-propan-2-ylhex-1-en-2-yl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-2H-imidazole?
The InChIKey is SYEQKIBTVVBDBJ-VGQLWJRTSA-N. The full InChI is InChI=1S/C21H36N2/c1-10-12-19(11-2)20-13-23(14-22(20)9)18(8)21(16(5)6)17(7)15(3)4/h10-13,15-17,21H,8,14H2,1-7,9H3/b12-10-,19-11+.
What are the key properties of 1-(4,5-dimethyl-3-propan-2-ylhex-1-en-2-yl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-2H-imidazole?
1-(4,5-dimethyl-3-propan-2-ylhex-1-en-2-yl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-2H-imidazole has a molecular weight of 316.53 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-3-propan-2-ylhex-1-en-2-yl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methyl-2H-imidazole is sourced from PubChem (CID 139523372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).