6-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazol-2-one

C11H18N2O — CID 117273670

IUPAC6-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazol-2-one
SMILESCC1CCc2c([nH]c(=O)n2C(C)C)C1
InChIInChI=1S/C11H18N2O/c1-7(2)13-10-5-4-8(3)6-9(10)12-11(13)14/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeySMIYNPORUGXMES-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.88
Rot. Bonds1

About 6-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazol-2-one

6-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazol-2-one (PubChem CID 117273670) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazol-2-one
PubChem CID117273670
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name6-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazol-2-one
SMILESCC1CCc2c([nH]c(=O)n2C(C)C)C1
InChIInChI=1S/C11H18N2O/c1-7(2)13-10-5-4-8(3)6-9(10)12-11(13)14/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeySMIYNPORUGXMES-UHFFFAOYSA-N
XLogP1.88
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazol-2-one?
The IUPAC name of 6-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazol-2-one (CID 117273670) is 6-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazol-2-one.
What is the SMILES notation for 6-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazol-2-one?
The canonical SMILES for 6-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazol-2-one is CC1CCc2c([nH]c(=O)n2C(C)C)C1.
What is the InChIKey of 6-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazol-2-one?
The InChIKey is SMIYNPORUGXMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)13-10-5-4-8(3)6-9(10)12-11(13)14/h7-8H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 6-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazol-2-one?
6-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazol-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-benzimidazol-2-one is sourced from PubChem (CID 117273670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).