2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-ol

C9H16N2O — CID 10329713

IUPAC2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-ol
SMILESCn1cncc1C(O)C(C)(C)C
InChIInChI=1S/C9H16N2O/c1-9(2,3)8(12)7-5-10-6-11(7)4/h5-6,8,12H,1-4H3
InChIKeySCAHMTWRGGQKMJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.50
Rot. Bonds1

About 2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-ol

2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-ol (PubChem CID 10329713) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-ol
PubChem CID10329713
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-ol
SMILESCn1cncc1C(O)C(C)(C)C
InChIInChI=1S/C9H16N2O/c1-9(2,3)8(12)7-5-10-6-11(7)4/h5-6,8,12H,1-4H3
InChIKeySCAHMTWRGGQKMJ-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-ol (CID 10329713) is 2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-ol is Cn1cncc1C(O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-ol?
The InChIKey is SCAHMTWRGGQKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(2,3)8(12)7-5-10-6-11(7)4/h5-6,8,12H,1-4H3.
What are the key properties of 2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-ol?
2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-methylimidazol-4-yl)propan-1-ol is sourced from PubChem (CID 10329713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).