3-methyl-1H-benzimidazol-2-one

C8H8N2O — CID 590540

IUPAC3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C8H8N2O/c1-10-7-5-3-2-4-6(7)9-8(10)11/h2-5H,1H3,(H,9,11)
InChIKeyPYEHNKXDXBNHQQ-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.87
Rot. Bonds

About 3-methyl-1H-benzimidazol-2-one

3-methyl-1H-benzimidazol-2-one (PubChem CID 590540) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-1H-benzimidazol-2-one
PubChem CID590540
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C8H8N2O/c1-10-7-5-3-2-4-6(7)9-8(10)11/h2-5H,1H3,(H,9,11)
InChIKeyPYEHNKXDXBNHQQ-UHFFFAOYSA-N
XLogP0.87
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 3-methyl-1H-benzimidazol-2-one (CID 590540) is 3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-methyl-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-methyl-1H-benzimidazol-2-one?
The InChIKey is PYEHNKXDXBNHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-10-7-5-3-2-4-6(7)9-8(10)11/h2-5H,1H3,(H,9,11).
What are the key properties of 3-methyl-1H-benzimidazol-2-one?
3-methyl-1H-benzimidazol-2-one has a molecular weight of 148.16 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 590540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).