1-[cyclohexa-2,4-dien-1-yl(cyclohexyl)methyl]-2-(6,7-dihydronaphthalen-2-yl)-4,5-dihydroimidazole

C26H32N2 — CID 91540856

IUPAC1-[cyclohexa-2,4-dien-1-yl(cyclohexyl)methyl]-2-(6,7-dihydronaphthalen-2-yl)-4,5-dihydroimidazole
SMILESC1=CCC(C(C2CCCCC2)N2CCN=C2c2ccc3c(c2)=CCCC=3)C=C1
InChIInChI=1S/C26H32N2/c1-3-10-21(11-4-1)25(22-12-5-2-6-13-22)28-18-17-27-26(28)24-16-15-20-9-7-8-14-23(20)19-24/h1,3-4,9-10,14-16,19,21-22,25H,2,5-8,11-13,17-18H2
InChIKeyACFUMDYYTXLOCO-UHFFFAOYSA-N
MW372.56 g/mol
LogP4.18
Rot. Bonds4

About 1-[cyclohexa-2,4-dien-1-yl(cyclohexyl)methyl]-2-(6,7-dihydronaphthalen-2-yl)-4,5-dihydroimidazole

1-[cyclohexa-2,4-dien-1-yl(cyclohexyl)methyl]-2-(6,7-dihydronaphthalen-2-yl)-4,5-dihydroimidazole (PubChem CID 91540856) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-[cyclohexa-2,4-dien-1-yl(cyclohexyl)methyl]-2-(6,7-dihydronaphthalen-2-yl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[cyclohexa-2,4-dien-1-yl(cyclohexyl)methyl]-2-(6,7-dihydronaphthalen-2-yl)-4,5-dihydroimidazole
PubChem CID91540856
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC Name1-[cyclohexa-2,4-dien-1-yl(cyclohexyl)methyl]-2-(6,7-dihydronaphthalen-2-yl)-4,5-dihydroimidazole
SMILESC1=CCC(C(C2CCCCC2)N2CCN=C2c2ccc3c(c2)=CCCC=3)C=C1
InChIInChI=1S/C26H32N2/c1-3-10-21(11-4-1)25(22-12-5-2-6-13-22)28-18-17-27-26(28)24-16-15-20-9-7-8-14-23(20)19-24/h1,3-4,9-10,14-16,19,21-22,25H,2,5-8,11-13,17-18H2
InChIKeyACFUMDYYTXLOCO-UHFFFAOYSA-N
XLogP4.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexa-2,4-dien-1-yl(cyclohexyl)methyl]-2-(6,7-dihydronaphthalen-2-yl)-4,5-dihydroimidazole?
The IUPAC name of 1-[cyclohexa-2,4-dien-1-yl(cyclohexyl)methyl]-2-(6,7-dihydronaphthalen-2-yl)-4,5-dihydroimidazole (CID 91540856) is 1-[cyclohexa-2,4-dien-1-yl(cyclohexyl)methyl]-2-(6,7-dihydronaphthalen-2-yl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-[cyclohexa-2,4-dien-1-yl(cyclohexyl)methyl]-2-(6,7-dihydronaphthalen-2-yl)-4,5-dihydroimidazole?
The canonical SMILES for 1-[cyclohexa-2,4-dien-1-yl(cyclohexyl)methyl]-2-(6,7-dihydronaphthalen-2-yl)-4,5-dihydroimidazole is C1=CCC(C(C2CCCCC2)N2CCN=C2c2ccc3c(c2)=CCCC=3)C=C1.
What is the InChIKey of 1-[cyclohexa-2,4-dien-1-yl(cyclohexyl)methyl]-2-(6,7-dihydronaphthalen-2-yl)-4,5-dihydroimidazole?
The InChIKey is ACFUMDYYTXLOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2/c1-3-10-21(11-4-1)25(22-12-5-2-6-13-22)28-18-17-27-26(28)24-16-15-20-9-7-8-14-23(20)19-24/h1,3-4,9-10,14-16,19,21-22,25H,2,5-8,11-13,17-18H2.
What are the key properties of 1-[cyclohexa-2,4-dien-1-yl(cyclohexyl)methyl]-2-(6,7-dihydronaphthalen-2-yl)-4,5-dihydroimidazole?
1-[cyclohexa-2,4-dien-1-yl(cyclohexyl)methyl]-2-(6,7-dihydronaphthalen-2-yl)-4,5-dihydroimidazole has a molecular weight of 372.56 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexa-2,4-dien-1-yl(cyclohexyl)methyl]-2-(6,7-dihydronaphthalen-2-yl)-4,5-dihydroimidazole is sourced from PubChem (CID 91540856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).