(4E)-1-(cycloheptylmethyl)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]-4-(4-methylhex-3-enylidene)-5-methylideneimidazole

C26H40N2 — CID 143663039

IUPAC(4E)-1-(cycloheptylmethyl)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]-4-(4-methylhex-3-enylidene)-5-methylideneimidazole
SMILESC=c1/c(=C\CC=C(C)CC)nc(/C(C)=C/C=C(C)C)n1CC1CCCCCC1
InChIInChI=1S/C26H40N2/c1-7-21(4)13-12-16-25-23(6)28(19-24-14-10-8-9-11-15-24)26(27-25)22(5)18-17-20(2)3/h13,16-18,24H,6-12,14-15,19H2,1-5H3/b21-13?,22-18+,25-16+
InChIKeyOSKRRSHIVWFUIL-JNEHCGCISA-N
MW380.62 g/mol
LogP6.16
Rot. Bonds7

About (4E)-1-(cycloheptylmethyl)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]-4-(4-methylhex-3-enylidene)-5-methylideneimidazole

(4E)-1-(cycloheptylmethyl)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]-4-(4-methylhex-3-enylidene)-5-methylideneimidazole (PubChem CID 143663039) has the molecular formula C26H40N2 and a molecular weight of 380.62 g/mol. Its IUPAC name is (4E)-1-(cycloheptylmethyl)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]-4-(4-methylhex-3-enylidene)-5-methylideneimidazole.

Molecular Properties

Compound Name(4E)-1-(cycloheptylmethyl)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]-4-(4-methylhex-3-enylidene)-5-methylideneimidazole
PubChem CID143663039
Molecular FormulaC26H40N2
Molecular Weight380.62 g/mol
Exact Mass380.32
IUPAC Name(4E)-1-(cycloheptylmethyl)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]-4-(4-methylhex-3-enylidene)-5-methylideneimidazole
SMILESC=c1/c(=C\CC=C(C)CC)nc(/C(C)=C/C=C(C)C)n1CC1CCCCCC1
InChIInChI=1S/C26H40N2/c1-7-21(4)13-12-16-25-23(6)28(19-24-14-10-8-9-11-15-24)26(27-25)22(5)18-17-20(2)3/h13,16-18,24H,6-12,14-15,19H2,1-5H3/b21-13?,22-18+,25-16+
InChIKeyOSKRRSHIVWFUIL-JNEHCGCISA-N
XLogP6.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(5Z)-7-fluoro-4-methylideneocta-5,7-dienyl]-1-[(1-methyl-4,5-dimethylideneimidazol-2-yl)methyl]azepane
CID 143552585
4-methyl-2-pentan-2-yl-1-[3-(2-pent-2-enylidene-3,4,5,6,7,8-hexahydroazecin-1-yl)propyl]-7H-cyclohepta[d]imidazole
CID 123829939
N-[(E)-[(5Z)-2-[(3,5-dimethylcyclohexyl)methyl]-1-methyl-5-[(Z)-2-methylhex-4-en-3-ylidene]imidazol-4-ylidene]methyl]methanimine
CID 135142655
2-Methyl-1-(4-methylcycloheptyl)-5,6-dihydrobenzimidazole
CID 142909646
1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine;ethene
CID 142947991

Frequently Asked Questions

What is the IUPAC name of (4E)-1-(cycloheptylmethyl)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]-4-(4-methylhex-3-enylidene)-5-methylideneimidazole?
The IUPAC name of (4E)-1-(cycloheptylmethyl)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]-4-(4-methylhex-3-enylidene)-5-methylideneimidazole (CID 143663039) is (4E)-1-(cycloheptylmethyl)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]-4-(4-methylhex-3-enylidene)-5-methylideneimidazole.
What is the SMILES notation for (4E)-1-(cycloheptylmethyl)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]-4-(4-methylhex-3-enylidene)-5-methylideneimidazole?
The canonical SMILES for (4E)-1-(cycloheptylmethyl)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]-4-(4-methylhex-3-enylidene)-5-methylideneimidazole is C=c1/c(=C\CC=C(C)CC)nc(/C(C)=C/C=C(C)C)n1CC1CCCCCC1.
What is the InChIKey of (4E)-1-(cycloheptylmethyl)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]-4-(4-methylhex-3-enylidene)-5-methylideneimidazole?
The InChIKey is OSKRRSHIVWFUIL-JNEHCGCISA-N. The full InChI is InChI=1S/C26H40N2/c1-7-21(4)13-12-16-25-23(6)28(19-24-14-10-8-9-11-15-24)26(27-25)22(5)18-17-20(2)3/h13,16-18,24H,6-12,14-15,19H2,1-5H3/b21-13?,22-18+,25-16+.
What are the key properties of (4E)-1-(cycloheptylmethyl)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]-4-(4-methylhex-3-enylidene)-5-methylideneimidazole?
(4E)-1-(cycloheptylmethyl)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]-4-(4-methylhex-3-enylidene)-5-methylideneimidazole has a molecular weight of 380.62 g/mol, XLogP of 6.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-(cycloheptylmethyl)-2-[(2E)-5-methylhexa-2,4-dien-2-yl]-4-(4-methylhex-3-enylidene)-5-methylideneimidazole is sourced from PubChem (CID 143663039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).