2-(3-chlorophenyl)-4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylic acid

C15H14ClN3O4 — CID 52940692

IUPAC2-(3-chlorophenyl)-4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]c(-c2cccc(Cl)c2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C15H14ClN3O4/c16-10-3-1-2-9(8-10)13-17-11(12(18-13)15(21)22)14(20)19-4-6-23-7-5-19/h1-3,8H,4-7H2,(H,17,18)(H,21,22)
InChIKeyWBRSHUABXSLYNU-UHFFFAOYSA-N
MW335.75 g/mol
LogP1.90
Rot. Bonds3

About 2-(3-chlorophenyl)-4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylic acid

2-(3-chlorophenyl)-4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylic acid (PubChem CID 52940692) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylic acid
PubChem CID52940692
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC Name2-(3-chlorophenyl)-4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(O)c1[nH]c(-c2cccc(Cl)c2)nc1C(=O)N1CCOCC1
InChIInChI=1S/C15H14ClN3O4/c16-10-3-1-2-9(8-10)13-17-11(12(18-13)15(21)22)14(20)19-4-6-23-7-5-19/h1-3,8H,4-7H2,(H,17,18)(H,21,22)
InChIKeyWBRSHUABXSLYNU-UHFFFAOYSA-N
XLogP1.90
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(3-chlorophenyl)-4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylic acid (CID 52940692) is 2-(3-chlorophenyl)-4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenyl)-4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylic acid is O=C(O)c1[nH]c(-c2cccc(Cl)c2)nc1C(=O)N1CCOCC1.
What is the InChIKey of 2-(3-chlorophenyl)-4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is WBRSHUABXSLYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c16-10-3-1-2-9(8-10)13-17-11(12(18-13)15(21)22)14(20)19-4-6-23-7-5-19/h1-3,8H,4-7H2,(H,17,18)(H,21,22).
What are the key properties of 2-(3-chlorophenyl)-4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylic acid?
2-(3-chlorophenyl)-4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 335.75 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-(morpholine-4-carbonyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 52940692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).