2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid

C20H16N2O3 — CID 20989602

IUPAC2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid
SMILESCOc1ccc2ccccc2c1-c1nc2ccccc2n1CC(=O)O
InChIInChI=1S/C20H16N2O3/c1-25-17-11-10-13-6-2-3-7-14(13)19(17)20-21-15-8-4-5-9-16(15)22(20)12-18(23)24/h2-11H,12H2,1H3,(H,23,24)
InChIKeyBZDDLQDUDAYUHE-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.95
Rot. Bonds4

About 2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid

2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid (PubChem CID 20989602) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid
PubChem CID20989602
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid
SMILESCOc1ccc2ccccc2c1-c1nc2ccccc2n1CC(=O)O
InChIInChI=1S/C20H16N2O3/c1-25-17-11-10-13-6-2-3-7-14(13)19(17)20-21-15-8-4-5-9-16(15)22(20)12-18(23)24/h2-11H,12H2,1H3,(H,23,24)
InChIKeyBZDDLQDUDAYUHE-UHFFFAOYSA-N
XLogP3.95
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[2-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]benzimidazol-1-yl]acetic acid
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4-(2-methoxynaphthalen-1-yl)-2-methylquinazoline
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid (CID 20989602) is 2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid is COc1ccc2ccccc2c1-c1nc2ccccc2n1CC(=O)O.
What is the InChIKey of 2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid?
The InChIKey is BZDDLQDUDAYUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-25-17-11-10-13-6-2-3-7-14(13)19(17)20-21-15-8-4-5-9-16(15)22(20)12-18(23)24/h2-11H,12H2,1H3,(H,23,24).
What are the key properties of 2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid?
2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid has a molecular weight of 332.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxynaphthalen-1-yl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 20989602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).