2-propan-2-yl-1-[(3R)-3,4,5-trimethylcyclohexa-1,5-dien-1-yl]-3-[(5R)-3,4,5-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole

C24H36N2 — CID 156686257

IUPAC2-propan-2-yl-1-[(3R)-3,4,5-trimethylcyclohexa-1,5-dien-1-yl]-3-[(5R)-3,4,5-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole
SMILESCC1=CC(N2C=CN(C3=CC(C)=C(C)[C@H](C)C3)C2C(C)C)=C[C@H](C)C1C
InChIInChI=1S/C24H36N2/c1-15(2)24-25(22-11-16(3)20(7)17(4)12-22)9-10-26(24)23-13-18(5)21(8)19(6)14-23/h9-13,15-16,19-20,24H,14H2,1-8H3/t16-,19+,20?,24?/m0/s1
InChIKeyQDISCJWCRUBOSP-WBZHBFDUSA-N
MW352.57 g/mol
LogP6.43
Rot. Bonds3

About 2-propan-2-yl-1-[(3R)-3,4,5-trimethylcyclohexa-1,5-dien-1-yl]-3-[(5R)-3,4,5-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole

2-propan-2-yl-1-[(3R)-3,4,5-trimethylcyclohexa-1,5-dien-1-yl]-3-[(5R)-3,4,5-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole (PubChem CID 156686257) has the molecular formula C24H36N2 and a molecular weight of 352.57 g/mol. Its IUPAC name is 2-propan-2-yl-1-[(3R)-3,4,5-trimethylcyclohexa-1,5-dien-1-yl]-3-[(5R)-3,4,5-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole.

Molecular Properties

Compound Name2-propan-2-yl-1-[(3R)-3,4,5-trimethylcyclohexa-1,5-dien-1-yl]-3-[(5R)-3,4,5-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole
PubChem CID156686257
Molecular FormulaC24H36N2
Molecular Weight352.57 g/mol
Exact Mass352.29
IUPAC Name2-propan-2-yl-1-[(3R)-3,4,5-trimethylcyclohexa-1,5-dien-1-yl]-3-[(5R)-3,4,5-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole
SMILESCC1=CC(N2C=CN(C3=CC(C)=C(C)[C@H](C)C3)C2C(C)C)=C[C@H](C)C1C
InChIInChI=1S/C24H36N2/c1-15(2)24-25(22-11-16(3)20(7)17(4)12-22)9-10-26(24)23-13-18(5)21(8)19(6)14-23/h9-13,15-16,19-20,24H,14H2,1-8H3/t16-,19+,20?,24?/m0/s1
InChIKeyQDISCJWCRUBOSP-WBZHBFDUSA-N
XLogP6.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.57
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-yl-1-[(3R)-3,4,5-trimethylcyclohexa-1,5-dien-1-yl]-3-[(5R)-3,4,5-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-[(3R)-3,4,5-trimethylcyclohexa-1,5-dien-1-yl]-3-[(5R)-3,4,5-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole?
The IUPAC name of 2-propan-2-yl-1-[(3R)-3,4,5-trimethylcyclohexa-1,5-dien-1-yl]-3-[(5R)-3,4,5-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole (CID 156686257) is 2-propan-2-yl-1-[(3R)-3,4,5-trimethylcyclohexa-1,5-dien-1-yl]-3-[(5R)-3,4,5-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole.
What is the SMILES notation for 2-propan-2-yl-1-[(3R)-3,4,5-trimethylcyclohexa-1,5-dien-1-yl]-3-[(5R)-3,4,5-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole?
The canonical SMILES for 2-propan-2-yl-1-[(3R)-3,4,5-trimethylcyclohexa-1,5-dien-1-yl]-3-[(5R)-3,4,5-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole is CC1=CC(N2C=CN(C3=CC(C)=C(C)[C@H](C)C3)C2C(C)C)=C[C@H](C)C1C.
What is the InChIKey of 2-propan-2-yl-1-[(3R)-3,4,5-trimethylcyclohexa-1,5-dien-1-yl]-3-[(5R)-3,4,5-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole?
The InChIKey is QDISCJWCRUBOSP-WBZHBFDUSA-N. The full InChI is InChI=1S/C24H36N2/c1-15(2)24-25(22-11-16(3)20(7)17(4)12-22)9-10-26(24)23-13-18(5)21(8)19(6)14-23/h9-13,15-16,19-20,24H,14H2,1-8H3/t16-,19+,20?,24?/m0/s1.
What are the key properties of 2-propan-2-yl-1-[(3R)-3,4,5-trimethylcyclohexa-1,5-dien-1-yl]-3-[(5R)-3,4,5-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole?
2-propan-2-yl-1-[(3R)-3,4,5-trimethylcyclohexa-1,5-dien-1-yl]-3-[(5R)-3,4,5-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole has a molecular weight of 352.57 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-[(3R)-3,4,5-trimethylcyclohexa-1,5-dien-1-yl]-3-[(5R)-3,4,5-trimethylcyclohexa-1,3-dien-1-yl]-2H-imidazole is sourced from PubChem (CID 156686257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).