2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid

C15H10Cl2N2O3 — CID 24812205

IUPAC2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(COc3ccc(Cl)cc3Cl)[nH]c2c1
InChIInChI=1S/C15H10Cl2N2O3/c16-9-2-4-13(10(17)6-9)22-7-14-18-11-3-1-8(15(20)21)5-12(11)19-14/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyJQQRNNAEXLRMGK-UHFFFAOYSA-N
MW337.16 g/mol
LogP4.15
Rot. Bonds4

About 2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid

2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid (PubChem CID 24812205) has the molecular formula C15H10Cl2N2O3 and a molecular weight of 337.16 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid
PubChem CID24812205
Molecular FormulaC15H10Cl2N2O3
Molecular Weight337.16 g/mol
Exact Mass336.01
IUPAC Name2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(COc3ccc(Cl)cc3Cl)[nH]c2c1
InChIInChI=1S/C15H10Cl2N2O3/c16-9-2-4-13(10(17)6-9)22-7-14-18-11-3-1-8(15(20)21)5-12(11)19-14/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyJQQRNNAEXLRMGK-UHFFFAOYSA-N
XLogP4.15
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]-3-[(4-methylphenyl)methoxy]benzoic acid
CID 59886987
2-[(4-methylphenoxy)methyl]-3H-benzimidazole-5-carboxylic acid
CID 84756425
3-[(2,4-dichlorophenyl)methoxy]-4-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzoic acid
CID 142026207
2-(propan-2-yloxymethyl)-3H-benzimidazole-5-carboxylic acid
CID 112603089
3-[(2,4-difluorophenyl)methoxy]-4-[(6-methyl-1H-benzimidazol-2-yl)methoxy]benzoic acid
CID 59049847
6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole
CID 26820083
3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 114847654
4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-bromophenyl)methoxy]benzoic acid
CID 59874737
3-[(4-bromophenyl)methoxy]-4-[(6-methyl-1H-benzimidazol-2-yl)methoxy]benzoic acid
CID 59874782
4-(1H-benzimidazol-2-ylmethoxy)-N-benzyl-3-[(2,4-dichlorophenyl)methoxy]benzamide
CID 59874743
1-(2,4-dichlorophenoxy)-5-(6-fluoro-1H-benzimidazol-2-yl)pentan-3-one
CID 159577842
2-(2-hydroxy-2-methylpropyl)-3H-benzimidazole-5-carboxylic acid
CID 165456701

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid (CID 24812205) is 2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(COc3ccc(Cl)cc3Cl)[nH]c2c1.
What is the InChIKey of 2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid?
The InChIKey is JQQRNNAEXLRMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3/c16-9-2-4-13(10(17)6-9)22-7-14-18-11-3-1-8(15(20)21)5-12(11)19-14/h1-6H,7H2,(H,18,19)(H,20,21).
What are the key properties of 2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid?
2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid has a molecular weight of 337.16 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenoxy)methyl]-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 24812205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).