5,6-dimethyl-2-naphthalen-1-yl-1H-benzimidazole

C19H16N2 — CID 2731163

IUPAC5,6-dimethyl-2-naphthalen-1-yl-1H-benzimidazole
SMILESCc1cc2nc(-c3cccc4ccccc34)[nH]c2cc1C
InChIInChI=1S/C19H16N2/c1-12-10-17-18(11-13(12)2)21-19(20-17)16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,1-2H3,(H,20,21)
InChIKeyJWKZVYBCEOWXSP-UHFFFAOYSA-N
MW272.35 g/mol
LogP5.00
Rot. Bonds1

About 5,6-dimethyl-2-naphthalen-1-yl-1H-benzimidazole

5,6-dimethyl-2-naphthalen-1-yl-1H-benzimidazole (PubChem CID 2731163) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5,6-dimethyl-2-naphthalen-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-naphthalen-1-yl-1H-benzimidazole
PubChem CID2731163
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name5,6-dimethyl-2-naphthalen-1-yl-1H-benzimidazole
SMILESCc1cc2nc(-c3cccc4ccccc34)[nH]c2cc1C
InChIInChI=1S/C19H16N2/c1-12-10-17-18(11-13(12)2)21-19(20-17)16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,1-2H3,(H,20,21)
InChIKeyJWKZVYBCEOWXSP-UHFFFAOYSA-N
XLogP5.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 12132
CID 12132
CID 675
CID 675
CID 12855
CID 12855
CID 2387
CID 2387
CID 24260
CID 24260
CID 101259
CID 101259
CID 824226
CID 824226
CID 50921533
CID 50921533
CID 345677
CID 345677
CID 1282
CID 1282
CID 200946
CID 200946
CID 899323
CID 899323

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-naphthalen-1-yl-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-2-naphthalen-1-yl-1H-benzimidazole (CID 2731163) is 5,6-dimethyl-2-naphthalen-1-yl-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-naphthalen-1-yl-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-naphthalen-1-yl-1H-benzimidazole is Cc1cc2nc(-c3cccc4ccccc34)[nH]c2cc1C.
What is the InChIKey of 5,6-dimethyl-2-naphthalen-1-yl-1H-benzimidazole?
The InChIKey is JWKZVYBCEOWXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c1-12-10-17-18(11-13(12)2)21-19(20-17)16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,1-2H3,(H,20,21).
What are the key properties of 5,6-dimethyl-2-naphthalen-1-yl-1H-benzimidazole?
5,6-dimethyl-2-naphthalen-1-yl-1H-benzimidazole has a molecular weight of 272.35 g/mol, XLogP of 5.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-naphthalen-1-yl-1H-benzimidazole is sourced from PubChem (CID 2731163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).