1,5-dihydrobenzimidazol-4-one

C7H6N2O — CID 68738397

IUPAC1,5-dihydrobenzimidazol-4-one
SMILESO=C1CC=Cc2[nH]cnc21
InChIInChI=1S/C7H6N2O/c10-6-3-1-2-5-7(6)9-4-8-5/h1-2,4H,3H2,(H,8,9)
InChIKeyDHQRHCSQJDYMEA-UHFFFAOYSA-N
MW134.14 g/mol
LogP1.01
Rot. Bonds

About 1,5-dihydrobenzimidazol-4-one

1,5-dihydrobenzimidazol-4-one (PubChem CID 68738397) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 1,5-dihydrobenzimidazol-4-one.

Molecular Properties

Compound Name1,5-dihydrobenzimidazol-4-one
PubChem CID68738397
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name1,5-dihydrobenzimidazol-4-one
SMILESO=C1CC=Cc2[nH]cnc21
InChIInChI=1S/C7H6N2O/c10-6-3-1-2-5-7(6)9-4-8-5/h1-2,4H,3H2,(H,8,9)
InChIKeyDHQRHCSQJDYMEA-UHFFFAOYSA-N
XLogP1.01
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dihydrobenzimidazol-4-one?
The IUPAC name of 1,5-dihydrobenzimidazol-4-one (CID 68738397) is 1,5-dihydrobenzimidazol-4-one.
What is the SMILES notation for 1,5-dihydrobenzimidazol-4-one?
The canonical SMILES for 1,5-dihydrobenzimidazol-4-one is O=C1CC=Cc2[nH]cnc21.
What is the InChIKey of 1,5-dihydrobenzimidazol-4-one?
The InChIKey is DHQRHCSQJDYMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c10-6-3-1-2-5-7(6)9-4-8-5/h1-2,4H,3H2,(H,8,9).
What are the key properties of 1,5-dihydrobenzimidazol-4-one?
1,5-dihydrobenzimidazol-4-one has a molecular weight of 134.14 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydrobenzimidazol-4-one is sourced from PubChem (CID 68738397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).