1-[2-(4-chloroanilino)-2-oxoethyl]-2-(methoxymethyl)imidazole-4-carboxylic acid

C14H14ClN3O4 — CID 69297183

IUPAC1-[2-(4-chloroanilino)-2-oxoethyl]-2-(methoxymethyl)imidazole-4-carboxylic acid
SMILESCOCc1nc(C(=O)O)cn1CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O4/c1-22-8-12-17-11(14(20)21)6-18(12)7-13(19)16-10-4-2-9(15)3-5-10/h2-6H,7-8H2,1H3,(H,16,19)(H,20,21)
InChIKeySAXBWNKXLRTUCE-UHFFFAOYSA-N
MW323.74 g/mol
LogP2.02
Rot. Bonds6

About 1-[2-(4-chloroanilino)-2-oxoethyl]-2-(methoxymethyl)imidazole-4-carboxylic acid

1-[2-(4-chloroanilino)-2-oxoethyl]-2-(methoxymethyl)imidazole-4-carboxylic acid (PubChem CID 69297183) has the molecular formula C14H14ClN3O4 and a molecular weight of 323.74 g/mol. Its IUPAC name is 1-[2-(4-chloroanilino)-2-oxoethyl]-2-(methoxymethyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-chloroanilino)-2-oxoethyl]-2-(methoxymethyl)imidazole-4-carboxylic acid
PubChem CID69297183
Molecular FormulaC14H14ClN3O4
Molecular Weight323.74 g/mol
Exact Mass323.07
IUPAC Name1-[2-(4-chloroanilino)-2-oxoethyl]-2-(methoxymethyl)imidazole-4-carboxylic acid
SMILESCOCc1nc(C(=O)O)cn1CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O4/c1-22-8-12-17-11(14(20)21)6-18(12)7-13(19)16-10-4-2-9(15)3-5-10/h2-6H,7-8H2,1H3,(H,16,19)(H,20,21)
InChIKeySAXBWNKXLRTUCE-UHFFFAOYSA-N
XLogP2.02
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenoxy)methyl]-1-ethylimidazole-4-carboxylic acid
CID 117187768
1-[2-(4-chloroanilino)-2-oxoethyl]pyrrole-3-carboxylic acid
CID 79103879
methyl N-[1-[2-(4-chloroanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112521038
N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190167
3-[2-(4-chloroanilino)-2-oxoethyl]-2-(methoxymethyl)-N-(1-propan-2-ylpiperidin-4-yl)imidazole-4-carboxamide
CID 10049304
2-(5-amino-2,4-dioxopyrimidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 63800080
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 53335046
N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 8721630
N-(4-chlorophenyl)-3-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 17136872
N-(4-chlorophenyl)-2-[5-(4-methoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 1189430
1-[2-(4-chloroanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372355
N-(4-chlorophenyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402546

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloroanilino)-2-oxoethyl]-2-(methoxymethyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-[2-(4-chloroanilino)-2-oxoethyl]-2-(methoxymethyl)imidazole-4-carboxylic acid (CID 69297183) is 1-[2-(4-chloroanilino)-2-oxoethyl]-2-(methoxymethyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-chloroanilino)-2-oxoethyl]-2-(methoxymethyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-chloroanilino)-2-oxoethyl]-2-(methoxymethyl)imidazole-4-carboxylic acid is COCc1nc(C(=O)O)cn1CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chloroanilino)-2-oxoethyl]-2-(methoxymethyl)imidazole-4-carboxylic acid?
The InChIKey is SAXBWNKXLRTUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4/c1-22-8-12-17-11(14(20)21)6-18(12)7-13(19)16-10-4-2-9(15)3-5-10/h2-6H,7-8H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 1-[2-(4-chloroanilino)-2-oxoethyl]-2-(methoxymethyl)imidazole-4-carboxylic acid?
1-[2-(4-chloroanilino)-2-oxoethyl]-2-(methoxymethyl)imidazole-4-carboxylic acid has a molecular weight of 323.74 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloroanilino)-2-oxoethyl]-2-(methoxymethyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 69297183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).