1-(2,3-dimethylbutan-2-yl)-3-phenyl-2H-imidazole

C15H22N2 — CID 164783115

IUPAC1-(2,3-dimethylbutan-2-yl)-3-phenyl-2H-imidazole
SMILESCC(C)C(C)(C)N1C=CN(c2ccccc2)C1
InChIInChI=1S/C15H22N2/c1-13(2)15(3,4)17-11-10-16(12-17)14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3
InChIKeyHKNASKMNAAATGH-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.67
Rot. Bonds3

About 1-(2,3-dimethylbutan-2-yl)-3-phenyl-2H-imidazole

1-(2,3-dimethylbutan-2-yl)-3-phenyl-2H-imidazole (PubChem CID 164783115) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-(2,3-dimethylbutan-2-yl)-3-phenyl-2H-imidazole.

Molecular Properties

Compound Name1-(2,3-dimethylbutan-2-yl)-3-phenyl-2H-imidazole
PubChem CID164783115
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name1-(2,3-dimethylbutan-2-yl)-3-phenyl-2H-imidazole
SMILESCC(C)C(C)(C)N1C=CN(c2ccccc2)C1
InChIInChI=1S/C15H22N2/c1-13(2)15(3,4)17-11-10-16(12-17)14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3
InChIKeyHKNASKMNAAATGH-UHFFFAOYSA-N
XLogP3.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutan-2-yl)-3-phenyl-2H-imidazole?
The IUPAC name of 1-(2,3-dimethylbutan-2-yl)-3-phenyl-2H-imidazole (CID 164783115) is 1-(2,3-dimethylbutan-2-yl)-3-phenyl-2H-imidazole.
What is the SMILES notation for 1-(2,3-dimethylbutan-2-yl)-3-phenyl-2H-imidazole?
The canonical SMILES for 1-(2,3-dimethylbutan-2-yl)-3-phenyl-2H-imidazole is CC(C)C(C)(C)N1C=CN(c2ccccc2)C1.
What is the InChIKey of 1-(2,3-dimethylbutan-2-yl)-3-phenyl-2H-imidazole?
The InChIKey is HKNASKMNAAATGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-13(2)15(3,4)17-11-10-16(12-17)14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3.
What are the key properties of 1-(2,3-dimethylbutan-2-yl)-3-phenyl-2H-imidazole?
1-(2,3-dimethylbutan-2-yl)-3-phenyl-2H-imidazole has a molecular weight of 230.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutan-2-yl)-3-phenyl-2H-imidazole is sourced from PubChem (CID 164783115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).