(7aS)-1,7a-dihydrobenzimidazol-2-one

C7H6N2O — CID 67235393

IUPAC(7aS)-1,7a-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=CC=C[C@@H]2N1
InChIInChI=1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-5H,(H,8,10)/t5-/m0/s1
InChIKeyUSKOHSXXLFBRFC-YFKPBYRVSA-N
MW134.14 g/mol
LogP0.65
Rot. Bonds

About (7aS)-1,7a-dihydrobenzimidazol-2-one

(7aS)-1,7a-dihydrobenzimidazol-2-one (PubChem CID 67235393) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is (7aS)-1,7a-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name(7aS)-1,7a-dihydrobenzimidazol-2-one
PubChem CID67235393
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name(7aS)-1,7a-dihydrobenzimidazol-2-one
SMILESO=C1N=C2C=CC=C[C@@H]2N1
InChIInChI=1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-5H,(H,8,10)/t5-/m0/s1
InChIKeyUSKOHSXXLFBRFC-YFKPBYRVSA-N
XLogP0.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7aS)-1,7a-dihydrobenzimidazol-2-one?
The IUPAC name of (7aS)-1,7a-dihydrobenzimidazol-2-one (CID 67235393) is (7aS)-1,7a-dihydrobenzimidazol-2-one.
What is the SMILES notation for (7aS)-1,7a-dihydrobenzimidazol-2-one?
The canonical SMILES for (7aS)-1,7a-dihydrobenzimidazol-2-one is O=C1N=C2C=CC=C[C@@H]2N1.
What is the InChIKey of (7aS)-1,7a-dihydrobenzimidazol-2-one?
The InChIKey is USKOHSXXLFBRFC-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-5H,(H,8,10)/t5-/m0/s1.
What are the key properties of (7aS)-1,7a-dihydrobenzimidazol-2-one?
(7aS)-1,7a-dihydrobenzimidazol-2-one has a molecular weight of 134.14 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-1,7a-dihydrobenzimidazol-2-one is sourced from PubChem (CID 67235393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).