1-[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl]imidazole

C16H26N2 — CID 134552307

IUPAC1-[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl]imidazole
SMILESCC(C)=C1C[C@@H](n2ccnc2)CC[C@]1(C)C(C)C
InChIInChI=1S/C16H26N2/c1-12(2)15-10-14(18-9-8-17-11-18)6-7-16(15,5)13(3)4/h8-9,11,13-14H,6-7,10H2,1-5H3/t14-,16+/m0/s1
InChIKeyMDWAVQJVFOCXLQ-GOEBONIOSA-N
MW246.40 g/mol
LogP4.61
Rot. Bonds2

About 1-[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl]imidazole

1-[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl]imidazole (PubChem CID 134552307) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl]imidazole.

Molecular Properties

Compound Name1-[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl]imidazole
PubChem CID134552307
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl]imidazole
SMILESCC(C)=C1C[C@@H](n2ccnc2)CC[C@]1(C)C(C)C
InChIInChI=1S/C16H26N2/c1-12(2)15-10-14(18-9-8-17-11-18)6-7-16(15,5)13(3)4/h8-9,11,13-14H,6-7,10H2,1-5H3/t14-,16+/m0/s1
InChIKeyMDWAVQJVFOCXLQ-GOEBONIOSA-N
XLogP4.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl]imidazole?
The IUPAC name of 1-[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl]imidazole (CID 134552307) is 1-[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl]imidazole.
What is the SMILES notation for 1-[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl]imidazole?
The canonical SMILES for 1-[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl]imidazole is CC(C)=C1C[C@@H](n2ccnc2)CC[C@]1(C)C(C)C.
What is the InChIKey of 1-[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl]imidazole?
The InChIKey is MDWAVQJVFOCXLQ-GOEBONIOSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)15-10-14(18-9-8-17-11-18)6-7-16(15,5)13(3)4/h8-9,11,13-14H,6-7,10H2,1-5H3/t14-,16+/m0/s1.
What are the key properties of 1-[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl]imidazole?
1-[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl]imidazole has a molecular weight of 246.40 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4R)-4-methyl-4-propan-2-yl-3-propan-2-ylidenecyclohexyl]imidazole is sourced from PubChem (CID 134552307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).