1,7a-dihydrobenzimidazol-2-one;hydrochloride

C7H7ClN2O — CID 69133447

IUPAC1,7a-dihydrobenzimidazol-2-one;hydrochloride
SMILESCl.O=C1N=C2C=CC=CC2N1
InChIInChI=1S/C7H6N2O.ClH/c10-7-8-5-3-1-2-4-6(5)9-7;/h1-5H,(H,8,10);1H
InChIKeySFWDKKCWXIYSHP-UHFFFAOYSA-N
MW170.60 g/mol
LogP1.07
Rot. Bonds

About 1,7a-dihydrobenzimidazol-2-one;hydrochloride

1,7a-dihydrobenzimidazol-2-one;hydrochloride (PubChem CID 69133447) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 1,7a-dihydrobenzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name1,7a-dihydrobenzimidazol-2-one;hydrochloride
PubChem CID69133447
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name1,7a-dihydrobenzimidazol-2-one;hydrochloride
SMILESCl.O=C1N=C2C=CC=CC2N1
InChIInChI=1S/C7H6N2O.ClH/c10-7-8-5-3-1-2-4-6(5)9-7;/h1-5H,(H,8,10);1H
InChIKeySFWDKKCWXIYSHP-UHFFFAOYSA-N
XLogP1.07
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,7a-dihydrobenzimidazol-2-one;hydrochloride 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 1,7a-dihydrobenzimidazol-2-one;hydrochloride?
The IUPAC name of 1,7a-dihydrobenzimidazol-2-one;hydrochloride (CID 69133447) is 1,7a-dihydrobenzimidazol-2-one;hydrochloride.
What is the SMILES notation for 1,7a-dihydrobenzimidazol-2-one;hydrochloride?
The canonical SMILES for 1,7a-dihydrobenzimidazol-2-one;hydrochloride is Cl.O=C1N=C2C=CC=CC2N1.
What is the InChIKey of 1,7a-dihydrobenzimidazol-2-one;hydrochloride?
The InChIKey is SFWDKKCWXIYSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O.ClH/c10-7-8-5-3-1-2-4-6(5)9-7;/h1-5H,(H,8,10);1H.
What are the key properties of 1,7a-dihydrobenzimidazol-2-one;hydrochloride?
1,7a-dihydrobenzimidazol-2-one;hydrochloride has a molecular weight of 170.60 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7a-dihydrobenzimidazol-2-one;hydrochloride is sourced from PubChem (CID 69133447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).