1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid

C15H10Cl2N2O2 — CID 43322761

IUPAC1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H10Cl2N2O2/c1-8-18-11-7-9(15(20)21)5-6-12(11)19(8)13-4-2-3-10(16)14(13)17/h2-7H,1H3,(H,20,21)
InChIKeyUVRMSGTWMXQHLJ-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.34
Rot. Bonds2

About 1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid

1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid (PubChem CID 43322761) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
PubChem CID43322761
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H10Cl2N2O2/c1-8-18-11-7-9(15(20)21)5-6-12(11)19(8)13-4-2-3-10(16)14(13)17/h2-7H,1H3,(H,20,21)
InChIKeyUVRMSGTWMXQHLJ-UHFFFAOYSA-N
XLogP4.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-methylphenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 107638215
2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxylic acid
CID 158432940
1-(4-chloro-2-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 107638237
1-(4-chloro-3-fluorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 61470338
1-(2,5-dibromophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 63549022
1-(2,3-dichlorophenyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 29077044
N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide
CID 55333924
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
3-(3,4-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 82770705
3-(2-chloro-4-iodophenyl)-2-methylbenzimidazole-5-carboxylic acid
CID 107607370
3-(2,3-dichlorophenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82770469
azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid (CID 43322761) is 1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid is Cc1nc2cc(C(=O)O)ccc2n1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
The InChIKey is UVRMSGTWMXQHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c1-8-18-11-7-9(15(20)21)5-6-12(11)19(8)13-4-2-3-10(16)14(13)17/h2-7H,1H3,(H,20,21).
What are the key properties of 1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid?
1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid has a molecular weight of 321.16 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 43322761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).