1-[cyclohexyl-(2-methylcyclohexa-1,3-dien-1-yl)methyl]-2-[4-(trifluoromethyl)cyclohexyl]imidazolidine

C24H37F3N2 — CID 91450453

IUPAC1-[cyclohexyl-(2-methylcyclohexa-1,3-dien-1-yl)methyl]-2-[4-(trifluoromethyl)cyclohexyl]imidazolidine
SMILESCC1=C(C(C2CCCCC2)N2CCNC2C2CCC(C(F)(F)F)CC2)CCC=C1
InChIInChI=1S/C24H37F3N2/c1-17-7-5-6-10-21(17)22(18-8-3-2-4-9-18)29-16-15-28-23(29)19-11-13-20(14-12-19)24(25,26)27/h5,7,18-20,22-23,28H,2-4,6,8-16H2,1H3
InChIKeyHZCDPZHSONVIBX-UHFFFAOYSA-N
MW410.57 g/mol
LogP6.20
Rot. Bonds4

About 1-[cyclohexyl-(2-methylcyclohexa-1,3-dien-1-yl)methyl]-2-[4-(trifluoromethyl)cyclohexyl]imidazolidine

1-[cyclohexyl-(2-methylcyclohexa-1,3-dien-1-yl)methyl]-2-[4-(trifluoromethyl)cyclohexyl]imidazolidine (PubChem CID 91450453) has the molecular formula C24H37F3N2 and a molecular weight of 410.57 g/mol. Its IUPAC name is 1-[cyclohexyl-(2-methylcyclohexa-1,3-dien-1-yl)methyl]-2-[4-(trifluoromethyl)cyclohexyl]imidazolidine.

Molecular Properties

Compound Name1-[cyclohexyl-(2-methylcyclohexa-1,3-dien-1-yl)methyl]-2-[4-(trifluoromethyl)cyclohexyl]imidazolidine
PubChem CID91450453
Molecular FormulaC24H37F3N2
Molecular Weight410.57 g/mol
Exact Mass410.29
IUPAC Name1-[cyclohexyl-(2-methylcyclohexa-1,3-dien-1-yl)methyl]-2-[4-(trifluoromethyl)cyclohexyl]imidazolidine
SMILESCC1=C(C(C2CCCCC2)N2CCNC2C2CCC(C(F)(F)F)CC2)CCC=C1
InChIInChI=1S/C24H37F3N2/c1-17-7-5-6-10-21(17)22(18-8-3-2-4-9-18)29-16-15-28-23(29)19-11-13-20(14-12-19)24(25,26)27/h5,7,18-20,22-23,28H,2-4,6,8-16H2,1H3
InChIKeyHZCDPZHSONVIBX-UHFFFAOYSA-N
XLogP6.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.57
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl-(2-methylcyclohexa-1,3-dien-1-yl)methyl]-2-[4-(trifluoromethyl)cyclohexyl]imidazolidine?
The IUPAC name of 1-[cyclohexyl-(2-methylcyclohexa-1,3-dien-1-yl)methyl]-2-[4-(trifluoromethyl)cyclohexyl]imidazolidine (CID 91450453) is 1-[cyclohexyl-(2-methylcyclohexa-1,3-dien-1-yl)methyl]-2-[4-(trifluoromethyl)cyclohexyl]imidazolidine.
What is the SMILES notation for 1-[cyclohexyl-(2-methylcyclohexa-1,3-dien-1-yl)methyl]-2-[4-(trifluoromethyl)cyclohexyl]imidazolidine?
The canonical SMILES for 1-[cyclohexyl-(2-methylcyclohexa-1,3-dien-1-yl)methyl]-2-[4-(trifluoromethyl)cyclohexyl]imidazolidine is CC1=C(C(C2CCCCC2)N2CCNC2C2CCC(C(F)(F)F)CC2)CCC=C1.
What is the InChIKey of 1-[cyclohexyl-(2-methylcyclohexa-1,3-dien-1-yl)methyl]-2-[4-(trifluoromethyl)cyclohexyl]imidazolidine?
The InChIKey is HZCDPZHSONVIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37F3N2/c1-17-7-5-6-10-21(17)22(18-8-3-2-4-9-18)29-16-15-28-23(29)19-11-13-20(14-12-19)24(25,26)27/h5,7,18-20,22-23,28H,2-4,6,8-16H2,1H3.
What are the key properties of 1-[cyclohexyl-(2-methylcyclohexa-1,3-dien-1-yl)methyl]-2-[4-(trifluoromethyl)cyclohexyl]imidazolidine?
1-[cyclohexyl-(2-methylcyclohexa-1,3-dien-1-yl)methyl]-2-[4-(trifluoromethyl)cyclohexyl]imidazolidine has a molecular weight of 410.57 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl-(2-methylcyclohexa-1,3-dien-1-yl)methyl]-2-[4-(trifluoromethyl)cyclohexyl]imidazolidine is sourced from PubChem (CID 91450453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).