5-methyl-2-propan-2-yl-1H-imidazol-4-ol

C7H12N2O — CID 123230204

IUPAC5-methyl-2-propan-2-yl-1H-imidazol-4-ol
SMILESCc1[nH]c(C(C)C)nc1O
InChIInChI=1S/C7H12N2O/c1-4(2)6-8-5(3)7(10)9-6/h4,10H,1-3H3,(H,8,9)
InChIKeyLNSYSSDHVMZLME-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.55
Rot. Bonds1

About 5-methyl-2-propan-2-yl-1H-imidazol-4-ol

5-methyl-2-propan-2-yl-1H-imidazol-4-ol (PubChem CID 123230204) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-1H-imidazol-4-ol.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-1H-imidazol-4-ol
PubChem CID123230204
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name5-methyl-2-propan-2-yl-1H-imidazol-4-ol
SMILESCc1[nH]c(C(C)C)nc1O
InChIInChI=1S/C7H12N2O/c1-4(2)6-8-5(3)7(10)9-6/h4,10H,1-3H3,(H,8,9)
InChIKeyLNSYSSDHVMZLME-UHFFFAOYSA-N
XLogP1.55
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-1H-imidazol-4-ol?
The IUPAC name of 5-methyl-2-propan-2-yl-1H-imidazol-4-ol (CID 123230204) is 5-methyl-2-propan-2-yl-1H-imidazol-4-ol.
What is the SMILES notation for 5-methyl-2-propan-2-yl-1H-imidazol-4-ol?
The canonical SMILES for 5-methyl-2-propan-2-yl-1H-imidazol-4-ol is Cc1[nH]c(C(C)C)nc1O.
What is the InChIKey of 5-methyl-2-propan-2-yl-1H-imidazol-4-ol?
The InChIKey is LNSYSSDHVMZLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4(2)6-8-5(3)7(10)9-6/h4,10H,1-3H3,(H,8,9).
What are the key properties of 5-methyl-2-propan-2-yl-1H-imidazol-4-ol?
5-methyl-2-propan-2-yl-1H-imidazol-4-ol has a molecular weight of 140.19 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-1H-imidazol-4-ol is sourced from PubChem (CID 123230204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).