2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid

C18H17N3O5 — CID 118717501

IUPAC2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid
SMILESCOc1ccc2nc(-c3ccc(NC(=O)COCC(=O)O)cc3)[nH]c2c1
InChIInChI=1S/C18H17N3O5/c1-25-13-6-7-14-15(8-13)21-18(20-14)11-2-4-12(5-3-11)19-16(22)9-26-10-17(23)24/h2-8H,9-10H2,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyOHSITJSSZSHKCA-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.28
Rot. Bonds7

About 2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid

2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid (PubChem CID 118717501) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid
PubChem CID118717501
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid
SMILESCOc1ccc2nc(-c3ccc(NC(=O)COCC(=O)O)cc3)[nH]c2c1
InChIInChI=1S/C18H17N3O5/c1-25-13-6-7-14-15(8-13)21-18(20-14)11-2-4-12(5-3-11)19-16(22)9-26-10-17(23)24/h2-8H,9-10H2,1H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyOHSITJSSZSHKCA-UHFFFAOYSA-N
XLogP2.28
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 118717495
[2-(4-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23744300
[2-oxo-2-(pyridin-4-ylamino)ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23744366
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
1-(4-methoxyphenyl)-3-[4-[6-[(4-methoxyphenyl)carbamothioylamino]-1H-benzimidazol-2-yl]phenyl]thiourea
CID 2488329
4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694879
[2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23859790
2-(2,5-dimethylphenoxy)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 5108771
4-(6-methoxy-1H-benzimidazol-2-yl)benzoate
CID 86674000
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 780764
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid (CID 118717501) is 2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid is COc1ccc2nc(-c3ccc(NC(=O)COCC(=O)O)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid?
The InChIKey is OHSITJSSZSHKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-25-13-6-7-14-15(8-13)21-18(20-14)11-2-4-12(5-3-11)19-16(22)9-26-10-17(23)24/h2-8H,9-10H2,1H3,(H,19,22)(H,20,21)(H,23,24).
What are the key properties of 2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid?
2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid has a molecular weight of 355.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 118717501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).