1,3-dihydrobenzimidazol-2-one

C7H6N2O — CID 11985

IUPAC1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccccc2[nH]1
InChIInChI=1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
InChIKeySILNNFMWIMZVEQ-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.86
Rot. Bonds

About 1,3-dihydrobenzimidazol-2-one

1,3-dihydrobenzimidazol-2-one (PubChem CID 11985) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name1,3-dihydrobenzimidazol-2-one
PubChem CID11985
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccccc2[nH]1
InChIInChI=1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
InChIKeySILNNFMWIMZVEQ-UHFFFAOYSA-N
XLogP0.86
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1,3-dihydrobenzimidazol-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

Related Compounds

2-Mercaptobenzimidazole
CID 707035
1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 88638
Phenylurea
CID 6145
1-Ebio
CID 82320
2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-
CID 84657
1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
CID 75070
5-Amino-2-hydroxybenzimidazole
CID 66765
2H-Benzimidazol-2-one, 1,3-dihydro-5-nitro-
CID 3725611
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 779710
1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 231553
5-Methylbenzimidazolone
CID 223134

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 1,3-dihydrobenzimidazol-2-one (CID 11985) is 1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccccc2[nH]1.
What is the InChIKey of 1,3-dihydrobenzimidazol-2-one?
The InChIKey is SILNNFMWIMZVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10).
What are the key properties of 1,3-dihydrobenzimidazol-2-one?
1,3-dihydrobenzimidazol-2-one has a molecular weight of 134.14 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 11985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).