6-methyl-3-propan-2-yl-1H-benzimidazol-2-one

C11H14N2O — CID 67560212

IUPAC6-methyl-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCc1ccc2c(c1)[nH]c(=O)n2C(C)C
InChIInChI=1S/C11H14N2O/c1-7(2)13-10-5-4-8(3)6-9(10)12-11(13)14/h4-7H,1-3H3,(H,12,14)
InChIKeyQVJDCISBMQGIRG-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.22
Rot. Bonds1

About 6-methyl-3-propan-2-yl-1H-benzimidazol-2-one

6-methyl-3-propan-2-yl-1H-benzimidazol-2-one (PubChem CID 67560212) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-1H-benzimidazol-2-one
PubChem CID67560212
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name6-methyl-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCc1ccc2c(c1)[nH]c(=O)n2C(C)C
InChIInChI=1S/C11H14N2O/c1-7(2)13-10-5-4-8(3)6-9(10)12-11(13)14/h4-7H,1-3H3,(H,12,14)
InChIKeyQVJDCISBMQGIRG-UHFFFAOYSA-N
XLogP2.22
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 6-methyl-3-propan-2-yl-1H-benzimidazol-2-one (CID 67560212) is 6-methyl-3-propan-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-methyl-3-propan-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 6-methyl-3-propan-2-yl-1H-benzimidazol-2-one is Cc1ccc2c(c1)[nH]c(=O)n2C(C)C.
What is the InChIKey of 6-methyl-3-propan-2-yl-1H-benzimidazol-2-one?
The InChIKey is QVJDCISBMQGIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7(2)13-10-5-4-8(3)6-9(10)12-11(13)14/h4-7H,1-3H3,(H,12,14).
What are the key properties of 6-methyl-3-propan-2-yl-1H-benzimidazol-2-one?
6-methyl-3-propan-2-yl-1H-benzimidazol-2-one has a molecular weight of 190.25 g/mol, XLogP of 2.22, 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-1H-benzimidazol-2-one is sourced from PubChem (CID 67560212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).