ethane;1-[(3-methyl-5-propan-2-ylphenyl)methyl]imidazole

C20H36N2 — CID 143579531

IUPACethane;1-[(3-methyl-5-propan-2-ylphenyl)methyl]imidazole
SMILESCC.CC.CC.Cc1cc(Cn2ccnc2)cc(C(C)C)c1
InChIInChI=1S/C14H18N2.3C2H6/c1-11(2)14-7-12(3)6-13(8-14)9-16-5-4-15-10-16;3*1-2/h4-8,10-11H,9H2,1-3H3;3*1-2H3
InChIKeyWYDYZOJDNJDTGS-UHFFFAOYSA-N
MW304.52 g/mol
LogP6.44
Rot. Bonds3

About ethane;1-[(3-methyl-5-propan-2-ylphenyl)methyl]imidazole

ethane;1-[(3-methyl-5-propan-2-ylphenyl)methyl]imidazole (PubChem CID 143579531) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is ethane;1-[(3-methyl-5-propan-2-ylphenyl)methyl]imidazole.

Molecular Properties

Compound Nameethane;1-[(3-methyl-5-propan-2-ylphenyl)methyl]imidazole
PubChem CID143579531
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Nameethane;1-[(3-methyl-5-propan-2-ylphenyl)methyl]imidazole
SMILESCC.CC.CC.Cc1cc(Cn2ccnc2)cc(C(C)C)c1
InChIInChI=1S/C14H18N2.3C2H6/c1-11(2)14-7-12(3)6-13(8-14)9-16-5-4-15-10-16;3*1-2/h4-8,10-11H,9H2,1-3H3;3*1-2H3
InChIKeyWYDYZOJDNJDTGS-UHFFFAOYSA-N
XLogP6.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3-methyl-5-propan-2-ylphenyl)methyl]imidazole?
The IUPAC name of ethane;1-[(3-methyl-5-propan-2-ylphenyl)methyl]imidazole (CID 143579531) is ethane;1-[(3-methyl-5-propan-2-ylphenyl)methyl]imidazole.
What is the SMILES notation for ethane;1-[(3-methyl-5-propan-2-ylphenyl)methyl]imidazole?
The canonical SMILES for ethane;1-[(3-methyl-5-propan-2-ylphenyl)methyl]imidazole is CC.CC.CC.Cc1cc(Cn2ccnc2)cc(C(C)C)c1.
What is the InChIKey of ethane;1-[(3-methyl-5-propan-2-ylphenyl)methyl]imidazole?
The InChIKey is WYDYZOJDNJDTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.3C2H6/c1-11(2)14-7-12(3)6-13(8-14)9-16-5-4-15-10-16;3*1-2/h4-8,10-11H,9H2,1-3H3;3*1-2H3.
What are the key properties of ethane;1-[(3-methyl-5-propan-2-ylphenyl)methyl]imidazole?
ethane;1-[(3-methyl-5-propan-2-ylphenyl)methyl]imidazole has a molecular weight of 304.52 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3-methyl-5-propan-2-ylphenyl)methyl]imidazole is sourced from PubChem (CID 143579531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).