3-methyl-1H-benzo[f]benzimidazol-2-one

C12H10N2O — CID 3245006

IUPAC3-methyl-1H-benzo[f]benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc3ccccc3cc21
InChIInChI=1S/C12H10N2O/c1-14-11-7-9-5-3-2-4-8(9)6-10(11)13-12(14)15/h2-7H,1H3,(H,13,15)
InChIKeyCDBBOEVAPYNBAO-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.02
Rot. Bonds

About 3-methyl-1H-benzo[f]benzimidazol-2-one

3-methyl-1H-benzo[f]benzimidazol-2-one (PubChem CID 3245006) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-methyl-1H-benzo[f]benzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-1H-benzo[f]benzimidazol-2-one
PubChem CID3245006
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name3-methyl-1H-benzo[f]benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cc3ccccc3cc21
InChIInChI=1S/C12H10N2O/c1-14-11-7-9-5-3-2-4-8(9)6-10(11)13-12(14)15/h2-7H,1H3,(H,13,15)
InChIKeyCDBBOEVAPYNBAO-UHFFFAOYSA-N
XLogP2.02
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-benzo[f]benzimidazol-2-one?
The IUPAC name of 3-methyl-1H-benzo[f]benzimidazol-2-one (CID 3245006) is 3-methyl-1H-benzo[f]benzimidazol-2-one.
What is the SMILES notation for 3-methyl-1H-benzo[f]benzimidazol-2-one?
The canonical SMILES for 3-methyl-1H-benzo[f]benzimidazol-2-one is Cn1c(=O)[nH]c2cc3ccccc3cc21.
What is the InChIKey of 3-methyl-1H-benzo[f]benzimidazol-2-one?
The InChIKey is CDBBOEVAPYNBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-14-11-7-9-5-3-2-4-8(9)6-10(11)13-12(14)15/h2-7H,1H3,(H,13,15).
What are the key properties of 3-methyl-1H-benzo[f]benzimidazol-2-one?
3-methyl-1H-benzo[f]benzimidazol-2-one has a molecular weight of 198.22 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-benzo[f]benzimidazol-2-one is sourced from PubChem (CID 3245006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).