3-(6-methylheptan-2-yl)-1H-imidazol-2-one

C11H20N2O — CID 103125504

IUPAC3-(6-methylheptan-2-yl)-1H-imidazol-2-one
SMILESCC(C)CCCC(C)n1cc[nH]c1=O
InChIInChI=1S/C11H20N2O/c1-9(2)5-4-6-10(3)13-8-7-12-11(13)14/h7-10H,4-6H2,1-3H3,(H,12,14)
InChIKeyQBDCSJMLZIFTLO-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.56
Rot. Bonds5

About 3-(6-methylheptan-2-yl)-1H-imidazol-2-one

3-(6-methylheptan-2-yl)-1H-imidazol-2-one (PubChem CID 103125504) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(6-methylheptan-2-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(6-methylheptan-2-yl)-1H-imidazol-2-one
PubChem CID103125504
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(6-methylheptan-2-yl)-1H-imidazol-2-one
SMILESCC(C)CCCC(C)n1cc[nH]c1=O
InChIInChI=1S/C11H20N2O/c1-9(2)5-4-6-10(3)13-8-7-12-11(13)14/h7-10H,4-6H2,1-3H3,(H,12,14)
InChIKeyQBDCSJMLZIFTLO-UHFFFAOYSA-N
XLogP2.56
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylheptan-2-yl)-1H-imidazol-2-one?
The IUPAC name of 3-(6-methylheptan-2-yl)-1H-imidazol-2-one (CID 103125504) is 3-(6-methylheptan-2-yl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(6-methylheptan-2-yl)-1H-imidazol-2-one?
The canonical SMILES for 3-(6-methylheptan-2-yl)-1H-imidazol-2-one is CC(C)CCCC(C)n1cc[nH]c1=O.
What is the InChIKey of 3-(6-methylheptan-2-yl)-1H-imidazol-2-one?
The InChIKey is QBDCSJMLZIFTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)5-4-6-10(3)13-8-7-12-11(13)14/h7-10H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 3-(6-methylheptan-2-yl)-1H-imidazol-2-one?
3-(6-methylheptan-2-yl)-1H-imidazol-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylheptan-2-yl)-1H-imidazol-2-one is sourced from PubChem (CID 103125504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).