1-[2,6-di(propan-2-yl)phenyl]-3-[(3R)-6-methyl-5-methylidene-3-propan-2-ylhept-1-en-4-yl]imidazolidine

C27H44N2 — CID 118501339

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-[(3R)-6-methyl-5-methylidene-3-propan-2-ylhept-1-en-4-yl]imidazolidine
SMILESC=C[C@@H](C(C)C)C(C(=C)C(C)C)N1CCN(c2c(C(C)C)cccc2C(C)C)C1
InChIInChI=1S/C27H44N2/c1-11-23(19(4)5)26(22(10)18(2)3)28-15-16-29(17-28)27-24(20(6)7)13-12-14-25(27)21(8)9/h11-14,18-21,23,26H,1,10,15-17H2,2-9H3/t23-,26?/m0/s1
InChIKeyUZHHGEBQOUGURI-ZZHFZYNASA-N
MW396.66 g/mol
LogP7.05
Rot. Bonds9

About 1-[2,6-di(propan-2-yl)phenyl]-3-[(3R)-6-methyl-5-methylidene-3-propan-2-ylhept-1-en-4-yl]imidazolidine

1-[2,6-di(propan-2-yl)phenyl]-3-[(3R)-6-methyl-5-methylidene-3-propan-2-ylhept-1-en-4-yl]imidazolidine (PubChem CID 118501339) has the molecular formula C27H44N2 and a molecular weight of 396.66 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-[(3R)-6-methyl-5-methylidene-3-propan-2-ylhept-1-en-4-yl]imidazolidine.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-[(3R)-6-methyl-5-methylidene-3-propan-2-ylhept-1-en-4-yl]imidazolidine
PubChem CID118501339
Molecular FormulaC27H44N2
Molecular Weight396.66 g/mol
Exact Mass396.35
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-[(3R)-6-methyl-5-methylidene-3-propan-2-ylhept-1-en-4-yl]imidazolidine
SMILESC=C[C@@H](C(C)C)C(C(=C)C(C)C)N1CCN(c2c(C(C)C)cccc2C(C)C)C1
InChIInChI=1S/C27H44N2/c1-11-23(19(4)5)26(22(10)18(2)3)28-15-16-29(17-28)27-24(20(6)7)13-12-14-25(27)21(8)9/h11-14,18-21,23,26H,1,10,15-17H2,2-9H3/t23-,26?/m0/s1
InChIKeyUZHHGEBQOUGURI-ZZHFZYNASA-N
XLogP7.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[3-[2,6-di(propan-2-yl)phenyl]imidazolidin-1-yl]-3,3-dimethylbutan-1-ol
CID 134943461
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
1-[2,6-di(propan-2-yl)phenyl]piperidine
CID 10634131
1-[2,6-di(propan-2-yl)phenyl]-3-[3-methoxy-2,6-di(propan-2-yl)phenyl]imidazolidine
CID 141260478
2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
CID 113076400
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,4-dimethylimidazolidine
CID 71019583
[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]methyl-diphenylphosphaniumyl]boranuide
CID 139168157
1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone
CID 102228013
1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaborolidine
CID 102596424
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole
CID 59439597
2-propan-2-ylphenol;styrene
CID 161412520
CID 102428925
CID 102428925

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[(3R)-6-methyl-5-methylidene-3-propan-2-ylhept-1-en-4-yl]imidazolidine?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[(3R)-6-methyl-5-methylidene-3-propan-2-ylhept-1-en-4-yl]imidazolidine (CID 118501339) is 1-[2,6-di(propan-2-yl)phenyl]-3-[(3R)-6-methyl-5-methylidene-3-propan-2-ylhept-1-en-4-yl]imidazolidine.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-[(3R)-6-methyl-5-methylidene-3-propan-2-ylhept-1-en-4-yl]imidazolidine?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-[(3R)-6-methyl-5-methylidene-3-propan-2-ylhept-1-en-4-yl]imidazolidine is C=C[C@@H](C(C)C)C(C(=C)C(C)C)N1CCN(c2c(C(C)C)cccc2C(C)C)C1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-[(3R)-6-methyl-5-methylidene-3-propan-2-ylhept-1-en-4-yl]imidazolidine?
The InChIKey is UZHHGEBQOUGURI-ZZHFZYNASA-N. The full InChI is InChI=1S/C27H44N2/c1-11-23(19(4)5)26(22(10)18(2)3)28-15-16-29(17-28)27-24(20(6)7)13-12-14-25(27)21(8)9/h11-14,18-21,23,26H,1,10,15-17H2,2-9H3/t23-,26?/m0/s1.
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-[(3R)-6-methyl-5-methylidene-3-propan-2-ylhept-1-en-4-yl]imidazolidine?
1-[2,6-di(propan-2-yl)phenyl]-3-[(3R)-6-methyl-5-methylidene-3-propan-2-ylhept-1-en-4-yl]imidazolidine has a molecular weight of 396.66 g/mol, XLogP of 7.05, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-[(3R)-6-methyl-5-methylidene-3-propan-2-ylhept-1-en-4-yl]imidazolidine is sourced from PubChem (CID 118501339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).