4-naphthalen-1-ylbenzimidazol-2-one

C17H10N2O — CID 171482352

IUPAC4-naphthalen-1-ylbenzimidazol-2-one
SMILESO=C1N=c2cccc(-c3cccc4ccccc34)c2=N1
InChIInChI=1S/C17H10N2O/c20-17-18-15-10-4-9-14(16(15)19-17)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H
InChIKeyPUABCYRMSJNJHG-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.88
Rot. Bonds1

About 4-naphthalen-1-ylbenzimidazol-2-one

4-naphthalen-1-ylbenzimidazol-2-one (PubChem CID 171482352) has the molecular formula C17H10N2O and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-naphthalen-1-ylbenzimidazol-2-one.

Molecular Properties

Compound Name4-naphthalen-1-ylbenzimidazol-2-one
PubChem CID171482352
Molecular FormulaC17H10N2O
Molecular Weight258.28 g/mol
Exact Mass258.08
IUPAC Name4-naphthalen-1-ylbenzimidazol-2-one
SMILESO=C1N=c2cccc(-c3cccc4ccccc34)c2=N1
InChIInChI=1S/C17H10N2O/c20-17-18-15-10-4-9-14(16(15)19-17)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H
InChIKeyPUABCYRMSJNJHG-UHFFFAOYSA-N
XLogP2.88
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-ylbenzimidazol-2-one?
The IUPAC name of 4-naphthalen-1-ylbenzimidazol-2-one (CID 171482352) is 4-naphthalen-1-ylbenzimidazol-2-one.
What is the SMILES notation for 4-naphthalen-1-ylbenzimidazol-2-one?
The canonical SMILES for 4-naphthalen-1-ylbenzimidazol-2-one is O=C1N=c2cccc(-c3cccc4ccccc34)c2=N1.
What is the InChIKey of 4-naphthalen-1-ylbenzimidazol-2-one?
The InChIKey is PUABCYRMSJNJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O/c20-17-18-15-10-4-9-14(16(15)19-17)13-8-3-6-11-5-1-2-7-12(11)13/h1-10H.
What are the key properties of 4-naphthalen-1-ylbenzimidazol-2-one?
4-naphthalen-1-ylbenzimidazol-2-one has a molecular weight of 258.28 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-ylbenzimidazol-2-one is sourced from PubChem (CID 171482352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).