2,2-dimethyl-1-(2-propyl-1H-imidazol-5-yl)propan-1-ol

C11H20N2O — CID 150789348

IUPAC2,2-dimethyl-1-(2-propyl-1H-imidazol-5-yl)propan-1-ol
SMILESCCCc1ncc(C(O)C(C)(C)C)[nH]1
InChIInChI=1S/C11H20N2O/c1-5-6-9-12-7-8(13-9)10(14)11(2,3)4/h7,10,14H,5-6H2,1-4H3,(H,12,13)
InChIKeyKDNCGTYLPUTHTI-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.44
Rot. Bonds3

About 2,2-dimethyl-1-(2-propyl-1H-imidazol-5-yl)propan-1-ol

2,2-dimethyl-1-(2-propyl-1H-imidazol-5-yl)propan-1-ol (PubChem CID 150789348) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-propyl-1H-imidazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-propyl-1H-imidazol-5-yl)propan-1-ol
PubChem CID150789348
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2,2-dimethyl-1-(2-propyl-1H-imidazol-5-yl)propan-1-ol
SMILESCCCc1ncc(C(O)C(C)(C)C)[nH]1
InChIInChI=1S/C11H20N2O/c1-5-6-9-12-7-8(13-9)10(14)11(2,3)4/h7,10,14H,5-6H2,1-4H3,(H,12,13)
InChIKeyKDNCGTYLPUTHTI-UHFFFAOYSA-N
XLogP2.44
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-propyl-1H-imidazol-5-yl)propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(2-propyl-1H-imidazol-5-yl)propan-1-ol (CID 150789348) is 2,2-dimethyl-1-(2-propyl-1H-imidazol-5-yl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(2-propyl-1H-imidazol-5-yl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(2-propyl-1H-imidazol-5-yl)propan-1-ol is CCCc1ncc(C(O)C(C)(C)C)[nH]1.
What is the InChIKey of 2,2-dimethyl-1-(2-propyl-1H-imidazol-5-yl)propan-1-ol?
The InChIKey is KDNCGTYLPUTHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-6-9-12-7-8(13-9)10(14)11(2,3)4/h7,10,14H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2,2-dimethyl-1-(2-propyl-1H-imidazol-5-yl)propan-1-ol?
2,2-dimethyl-1-(2-propyl-1H-imidazol-5-yl)propan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-propyl-1H-imidazol-5-yl)propan-1-ol is sourced from PubChem (CID 150789348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).