2-[3-(naphthalen-2-ylmethyl)-2-oxobenzimidazol-1-yl]acetic acid

C20H16N2O3 — CID 10065334

IUPAC2-[3-(naphthalen-2-ylmethyl)-2-oxobenzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)n(Cc2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C20H16N2O3/c23-19(24)13-22-18-8-4-3-7-17(18)21(20(22)25)12-14-9-10-15-5-1-2-6-16(15)11-14/h1-11H,12-13H2,(H,23,24)
InChIKeyWEIASGOJSZHJGP-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.09
Rot. Bonds4

About 2-[3-(naphthalen-2-ylmethyl)-2-oxobenzimidazol-1-yl]acetic acid

2-[3-(naphthalen-2-ylmethyl)-2-oxobenzimidazol-1-yl]acetic acid (PubChem CID 10065334) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[3-(naphthalen-2-ylmethyl)-2-oxobenzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(naphthalen-2-ylmethyl)-2-oxobenzimidazol-1-yl]acetic acid
PubChem CID10065334
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name2-[3-(naphthalen-2-ylmethyl)-2-oxobenzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(=O)n(Cc2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C20H16N2O3/c23-19(24)13-22-18-8-4-3-7-17(18)21(20(22)25)12-14-9-10-15-5-1-2-6-16(15)11-14/h1-11H,12-13H2,(H,23,24)
InChIKeyWEIASGOJSZHJGP-UHFFFAOYSA-N
XLogP3.09
TPSA64.23 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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-benzyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetic acid
CID 6472386
3-(3-Naphthalen-1-ylmethyl-2-oxo-2,3-dihydro-benzimidazol-1-yl)-propionic acid
CID 56666721
N-methyl-2-(3-(1-(naphthalen-2-ylmethyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetamide
CID 46879476
N-methyl-2-(3-(1-(naphthalen-1-ylmethyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetamide
CID 46880237
N-methyl-2-(3-(1-((4-methylnaphthalen-1-yl)methyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetamide
CID 46880238
Nnc 63-0532
CID 3906780
1,3-Bis(naphthalen-2-ylmethyl)benzimidazol-2-one
CID 134155910
2-[2-Oxo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzimidazol-1-yl]acetic acid
CID 20333133
3-[3-[(4-Fluoronaphthalen-1-yl)methyl]-2-oxobenzimidazol-1-yl]hexanoic acid
CID 59497412
2-[3-[(2-Fluorophenyl)methyl]-2-oxobenzimidazol-1-yl]acetic acid
CID 70550727
15,17-Dimethyl-4,11-diazatetracyclo[12.2.2.14,11.05,10]nonadeca-1(16),5,7,9,14,17-hexaen-19-one
CID 11460562
1-Methyl-4-(naphthalen-2-ylmethyl)-3-phenylimidazolidin-2-one
CID 102384776

Frequently Asked Questions

What is the IUPAC name of 2-[3-(naphthalen-2-ylmethyl)-2-oxobenzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(naphthalen-2-ylmethyl)-2-oxobenzimidazol-1-yl]acetic acid (CID 10065334) is 2-[3-(naphthalen-2-ylmethyl)-2-oxobenzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(naphthalen-2-ylmethyl)-2-oxobenzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(naphthalen-2-ylmethyl)-2-oxobenzimidazol-1-yl]acetic acid is O=C(O)Cn1c(=O)n(Cc2ccc3ccccc3c2)c2ccccc21.
What is the InChIKey of 2-[3-(naphthalen-2-ylmethyl)-2-oxobenzimidazol-1-yl]acetic acid?
The InChIKey is WEIASGOJSZHJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-19(24)13-22-18-8-4-3-7-17(18)21(20(22)25)12-14-9-10-15-5-1-2-6-16(15)11-14/h1-11H,12-13H2,(H,23,24).
What are the key properties of 2-[3-(naphthalen-2-ylmethyl)-2-oxobenzimidazol-1-yl]acetic acid?
2-[3-(naphthalen-2-ylmethyl)-2-oxobenzimidazol-1-yl]acetic acid has a molecular weight of 332.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(naphthalen-2-ylmethyl)-2-oxobenzimidazol-1-yl]acetic acid is sourced from PubChem (CID 10065334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).