2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid

C20H16N2O2 — CID 18681123

IUPAC2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C20H16N2O2/c1-13-21-18-9-8-17(20(23)24)11-19(18)22(13)12-14-6-7-15-4-2-3-5-16(15)10-14/h2-11H,12H2,1H3,(H,23,24)
InChIKeyDZZFOQAEJHRWCF-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.24
Rot. Bonds3

About 2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid

2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid (PubChem CID 18681123) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid
PubChem CID18681123
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C20H16N2O2/c1-13-21-18-9-8-17(20(23)24)11-19(18)22(13)12-14-6-7-15-4-2-3-5-16(15)10-14/h2-11H,12H2,1H3,(H,23,24)
InChIKeyDZZFOQAEJHRWCF-UHFFFAOYSA-N
XLogP4.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid (CID 18681123) is 2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid is Cc1nc2ccc(C(=O)O)cc2n1Cc1ccc2ccccc2c1.
What is the InChIKey of 2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid?
The InChIKey is DZZFOQAEJHRWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-13-21-18-9-8-17(20(23)24)11-19(18)22(13)12-14-6-7-15-4-2-3-5-16(15)10-14/h2-11H,12H2,1H3,(H,23,24).
What are the key properties of 2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid?
2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(naphthalen-2-ylmethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 18681123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).