2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole

C19H16N2O2 — CID 168555188

IUPAC2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole
SMILESCOc1cc2c(OC)cccc2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C19H16N2O2/c1-22-17-9-5-6-12-10-14(18(23-2)11-13(12)17)19-20-15-7-3-4-8-16(15)21-19/h3-11H,1-2H3,(H,20,21)
InChIKeyKUTLGEKGYAQWSK-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.40
Rot. Bonds3

About 2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole

2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole (PubChem CID 168555188) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole
PubChem CID168555188
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole
SMILESCOc1cc2c(OC)cccc2cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C19H16N2O2/c1-22-17-9-5-6-12-10-14(18(23-2)11-13(12)17)19-20-15-7-3-4-8-16(15)21-19/h3-11H,1-2H3,(H,20,21)
InChIKeyKUTLGEKGYAQWSK-UHFFFAOYSA-N
XLogP4.40
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole (CID 168555188) is 2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole is COc1cc2c(OC)cccc2cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole?
The InChIKey is KUTLGEKGYAQWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-22-17-9-5-6-12-10-14(18(23-2)11-13(12)17)19-20-15-7-3-4-8-16(15)21-19/h3-11H,1-2H3,(H,20,21).
What are the key properties of 2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole?
2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole has a molecular weight of 304.35 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole is sourced from PubChem (CID 168555188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).