2,3-dimethyl-4-propan-2-yl-1-propyl-2H-imidazole

C11H22N2 — CID 161202585

IUPAC2,3-dimethyl-4-propan-2-yl-1-propyl-2H-imidazole
SMILESCCCN1C=C(C(C)C)N(C)C1C
InChIInChI=1S/C11H22N2/c1-6-7-13-8-11(9(2)3)12(5)10(13)4/h8-10H,6-7H2,1-5H3
InChIKeyUVEHPLGKHOUBIH-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.49
Rot. Bonds3

About 2,3-dimethyl-4-propan-2-yl-1-propyl-2H-imidazole

2,3-dimethyl-4-propan-2-yl-1-propyl-2H-imidazole (PubChem CID 161202585) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,3-dimethyl-4-propan-2-yl-1-propyl-2H-imidazole.

Molecular Properties

Compound Name2,3-dimethyl-4-propan-2-yl-1-propyl-2H-imidazole
PubChem CID161202585
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2,3-dimethyl-4-propan-2-yl-1-propyl-2H-imidazole
SMILESCCCN1C=C(C(C)C)N(C)C1C
InChIInChI=1S/C11H22N2/c1-6-7-13-8-11(9(2)3)12(5)10(13)4/h8-10H,6-7H2,1-5H3
InChIKeyUVEHPLGKHOUBIH-UHFFFAOYSA-N
XLogP2.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-propan-2-yl-1-propyl-2H-imidazole?
The IUPAC name of 2,3-dimethyl-4-propan-2-yl-1-propyl-2H-imidazole (CID 161202585) is 2,3-dimethyl-4-propan-2-yl-1-propyl-2H-imidazole.
What is the SMILES notation for 2,3-dimethyl-4-propan-2-yl-1-propyl-2H-imidazole?
The canonical SMILES for 2,3-dimethyl-4-propan-2-yl-1-propyl-2H-imidazole is CCCN1C=C(C(C)C)N(C)C1C.
What is the InChIKey of 2,3-dimethyl-4-propan-2-yl-1-propyl-2H-imidazole?
The InChIKey is UVEHPLGKHOUBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-6-7-13-8-11(9(2)3)12(5)10(13)4/h8-10H,6-7H2,1-5H3.
What are the key properties of 2,3-dimethyl-4-propan-2-yl-1-propyl-2H-imidazole?
2,3-dimethyl-4-propan-2-yl-1-propyl-2H-imidazole has a molecular weight of 182.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-propan-2-yl-1-propyl-2H-imidazole is sourced from PubChem (CID 161202585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).