3-[(2,5-dichlorophenyl)methyl]-2-(5-methyl-3-pyridinyl)imidazole-4-carboxylic acid

C17H13Cl2N3O2 — CID 118416912

IUPAC3-[(2,5-dichlorophenyl)methyl]-2-(5-methyl-3-pyridinyl)imidazole-4-carboxylic acid
SMILESCc1cncc(-c2ncc(C(=O)O)n2Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H13Cl2N3O2/c1-10-4-11(7-20-6-10)16-21-8-15(17(23)24)22(16)9-12-5-13(18)2-3-14(12)19/h2-8H,9H2,1H3,(H,23,24)
InChIKeyHOUHMZFDSUCLCS-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.31
Rot. Bonds4

About 3-[(2,5-dichlorophenyl)methyl]-2-(5-methyl-3-pyridinyl)imidazole-4-carboxylic acid

3-[(2,5-dichlorophenyl)methyl]-2-(5-methyl-3-pyridinyl)imidazole-4-carboxylic acid (PubChem CID 118416912) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)methyl]-2-(5-methyl-3-pyridinyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)methyl]-2-(5-methyl-3-pyridinyl)imidazole-4-carboxylic acid
PubChem CID118416912
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name3-[(2,5-dichlorophenyl)methyl]-2-(5-methyl-3-pyridinyl)imidazole-4-carboxylic acid
SMILESCc1cncc(-c2ncc(C(=O)O)n2Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H13Cl2N3O2/c1-10-4-11(7-20-6-10)16-21-8-15(17(23)24)22(16)9-12-5-13(18)2-3-14(12)19/h2-8H,9H2,1H3,(H,23,24)
InChIKeyHOUHMZFDSUCLCS-UHFFFAOYSA-N
XLogP4.31
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)methyl]-2-(5-methyl-3-pyridinyl)imidazole-4-carboxylic acid?
The IUPAC name of 3-[(2,5-dichlorophenyl)methyl]-2-(5-methyl-3-pyridinyl)imidazole-4-carboxylic acid (CID 118416912) is 3-[(2,5-dichlorophenyl)methyl]-2-(5-methyl-3-pyridinyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)methyl]-2-(5-methyl-3-pyridinyl)imidazole-4-carboxylic acid?
The canonical SMILES for 3-[(2,5-dichlorophenyl)methyl]-2-(5-methyl-3-pyridinyl)imidazole-4-carboxylic acid is Cc1cncc(-c2ncc(C(=O)O)n2Cc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-[(2,5-dichlorophenyl)methyl]-2-(5-methyl-3-pyridinyl)imidazole-4-carboxylic acid?
The InChIKey is HOUHMZFDSUCLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c1-10-4-11(7-20-6-10)16-21-8-15(17(23)24)22(16)9-12-5-13(18)2-3-14(12)19/h2-8H,9H2,1H3,(H,23,24).
What are the key properties of 3-[(2,5-dichlorophenyl)methyl]-2-(5-methyl-3-pyridinyl)imidazole-4-carboxylic acid?
3-[(2,5-dichlorophenyl)methyl]-2-(5-methyl-3-pyridinyl)imidazole-4-carboxylic acid has a molecular weight of 362.22 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)methyl]-2-(5-methyl-3-pyridinyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 118416912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).