1,3-bis[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine

C27H44N2 — CID 123897713

IUPAC1,3-bis[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine
SMILESCC(C)C1=C(N2CCN(C3=C(C(C)C)C=CCC3C(C)C)C2)C(C(C)C)CC=C1
InChIInChI=1S/C27H44N2/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-11,13,18-21,23,25H,12,14-17H2,1-8H3
InChIKeyOQJVHYWFTNSXQX-UHFFFAOYSA-N
MW396.66 g/mol
LogP6.85
Rot. Bonds6

About 1,3-bis[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine

1,3-bis[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine (PubChem CID 123897713) has the molecular formula C27H44N2 and a molecular weight of 396.66 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine.

Molecular Properties

Compound Name1,3-bis[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine
PubChem CID123897713
Molecular FormulaC27H44N2
Molecular Weight396.66 g/mol
Exact Mass396.35
IUPAC Name1,3-bis[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine
SMILESCC(C)C1=C(N2CCN(C3=C(C(C)C)C=CCC3C(C)C)C2)C(C(C)C)CC=C1
InChIInChI=1S/C27H44N2/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-11,13,18-21,23,25H,12,14-17H2,1-8H3
InChIKeyOQJVHYWFTNSXQX-UHFFFAOYSA-N
XLogP6.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.66
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[5-methyl-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine
CID 123976759
1-[(6S)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]-3-[(6R)-6-methyl-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine
CID 160509336
2,6-di(propan-2-yl)-1-propan-2-yloxycyclohexa-1,3-diene
CID 90781906
1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[6-[4-[7-methyl-8-[3-(2,7,7-trimethyl-6H-naphthalen-1-yl)imidazolidin-1-yl]-6,7-dihydronaphthalen-2-yl]butan-2-yl]-2-propan-2-ylcyclohexa-1,3-dien-1-yl]imidazolidine
CID 123930725
N-[(6R)-2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-1-phenylmethanimine
CID 58512819
7-propan-2-yl-2,3,3a,4-tetrahydro-1H-indene
CID 139711822
1-propan-2-yl-1,2,6,7-tetrahydronaphthalene
CID 101316535
2-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 146177940
1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane
CID 162105362
ethane;(3-propan-2-yl-2-bicyclo[5.1.0]octa-2,4-dienyl)methanamine;hydrofluoride
CID 143373746
1-[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]-3-[2,6-di(propan-2-yl)phenyl]-2H-triazole-1,3-diium
CID 123521570
(3S,8S)-3,8-di(propan-2-yl)-3,4,7,8-tetrahydrooxonine-2,9-dione
CID 91112711

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine?
The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine (CID 123897713) is 1,3-bis[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine.
What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine?
The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine is CC(C)C1=C(N2CCN(C3=C(C(C)C)C=CCC3C(C)C)C2)C(C(C)C)CC=C1.
What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine?
The InChIKey is OQJVHYWFTNSXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N2/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-11,13,18-21,23,25H,12,14-17H2,1-8H3.
What are the key properties of 1,3-bis[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine?
1,3-bis[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine has a molecular weight of 396.66 g/mol, XLogP of 6.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2,6-di(propan-2-yl)cyclohexa-1,3-dien-1-yl]imidazolidine is sourced from PubChem (CID 123897713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).