4-methyl-3-propan-2-yl-1H-imidazol-2-one

C7H12N2O — CID 81446268

IUPAC4-methyl-3-propan-2-yl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1C(C)C
InChIInChI=1S/C7H12N2O/c1-5(2)9-6(3)4-8-7(9)10/h4-5H,1-3H3,(H,8,10)
InChIKeyJDCFMWZLDAYDCG-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.07
Rot. Bonds1

About 4-methyl-3-propan-2-yl-1H-imidazol-2-one

4-methyl-3-propan-2-yl-1H-imidazol-2-one (PubChem CID 81446268) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-methyl-3-propan-2-yl-1H-imidazol-2-one
PubChem CID81446268
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-methyl-3-propan-2-yl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1C(C)C
InChIInChI=1S/C7H12N2O/c1-5(2)9-6(3)4-8-7(9)10/h4-5H,1-3H3,(H,8,10)
InChIKeyJDCFMWZLDAYDCG-UHFFFAOYSA-N
XLogP1.07
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yl-1H-imidazol-2-one?
The IUPAC name of 4-methyl-3-propan-2-yl-1H-imidazol-2-one (CID 81446268) is 4-methyl-3-propan-2-yl-1H-imidazol-2-one.
What is the SMILES notation for 4-methyl-3-propan-2-yl-1H-imidazol-2-one?
The canonical SMILES for 4-methyl-3-propan-2-yl-1H-imidazol-2-one is Cc1c[nH]c(=O)n1C(C)C.
What is the InChIKey of 4-methyl-3-propan-2-yl-1H-imidazol-2-one?
The InChIKey is JDCFMWZLDAYDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(2)9-6(3)4-8-7(9)10/h4-5H,1-3H3,(H,8,10).
What are the key properties of 4-methyl-3-propan-2-yl-1H-imidazol-2-one?
4-methyl-3-propan-2-yl-1H-imidazol-2-one has a molecular weight of 140.19 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yl-1H-imidazol-2-one is sourced from PubChem (CID 81446268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).