3-naphthalen-1-yl-1,2-dihydrobenzimidazole

C17H14N2 — CID 68549243

IUPAC3-naphthalen-1-yl-1,2-dihydrobenzimidazole
SMILESc1ccc2c(c1)NCN2c1cccc2ccccc12
InChIInChI=1S/C17H14N2/c1-2-8-14-13(6-1)7-5-11-16(14)19-12-18-15-9-3-4-10-17(15)19/h1-11,18H,12H2
InChIKeyUENBIXURVHGSFX-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.36
Rot. Bonds1

About 3-naphthalen-1-yl-1,2-dihydrobenzimidazole

3-naphthalen-1-yl-1,2-dihydrobenzimidazole (PubChem CID 68549243) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-naphthalen-1-yl-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name3-naphthalen-1-yl-1,2-dihydrobenzimidazole
PubChem CID68549243
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name3-naphthalen-1-yl-1,2-dihydrobenzimidazole
SMILESc1ccc2c(c1)NCN2c1cccc2ccccc12
InChIInChI=1S/C17H14N2/c1-2-8-14-13(6-1)7-5-11-16(14)19-12-18-15-9-3-4-10-17(15)19/h1-11,18H,12H2
InChIKeyUENBIXURVHGSFX-UHFFFAOYSA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-1,2-dihydrobenzimidazole?
The IUPAC name of 3-naphthalen-1-yl-1,2-dihydrobenzimidazole (CID 68549243) is 3-naphthalen-1-yl-1,2-dihydrobenzimidazole.
What is the SMILES notation for 3-naphthalen-1-yl-1,2-dihydrobenzimidazole?
The canonical SMILES for 3-naphthalen-1-yl-1,2-dihydrobenzimidazole is c1ccc2c(c1)NCN2c1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-yl-1,2-dihydrobenzimidazole?
The InChIKey is UENBIXURVHGSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-2-8-14-13(6-1)7-5-11-16(14)19-12-18-15-9-3-4-10-17(15)19/h1-11,18H,12H2.
What are the key properties of 3-naphthalen-1-yl-1,2-dihydrobenzimidazole?
3-naphthalen-1-yl-1,2-dihydrobenzimidazole has a molecular weight of 246.31 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-1,2-dihydrobenzimidazole is sourced from PubChem (CID 68549243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).