1-(4-carbamoyl-2-cyanophenyl)-2-(2,6-dichloroanilino)benzimidazole-5-carboxylic acid

C22H13Cl2N5O3 — CID 67230325

IUPAC1-(4-carbamoyl-2-cyanophenyl)-2-(2,6-dichloroanilino)benzimidazole-5-carboxylic acid
SMILESN#Cc1cc(C(N)=O)ccc1-n1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C22H13Cl2N5O3/c23-14-2-1-3-15(24)19(14)28-22-27-16-9-12(21(31)32)5-7-18(16)29(22)17-6-4-11(20(26)30)8-13(17)10-25/h1-9H,(H2,26,30)(H,27,28)(H,31,32)
InChIKeyWQSKLOIWPNZGRP-UHFFFAOYSA-N
MW466.28 g/mol
LogP4.74
Rot. Bonds5

About 1-(4-carbamoyl-2-cyanophenyl)-2-(2,6-dichloroanilino)benzimidazole-5-carboxylic acid

1-(4-carbamoyl-2-cyanophenyl)-2-(2,6-dichloroanilino)benzimidazole-5-carboxylic acid (PubChem CID 67230325) has the molecular formula C22H13Cl2N5O3 and a molecular weight of 466.28 g/mol. Its IUPAC name is 1-(4-carbamoyl-2-cyanophenyl)-2-(2,6-dichloroanilino)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-carbamoyl-2-cyanophenyl)-2-(2,6-dichloroanilino)benzimidazole-5-carboxylic acid
PubChem CID67230325
Molecular FormulaC22H13Cl2N5O3
Molecular Weight466.28 g/mol
Exact Mass465.04
IUPAC Name1-(4-carbamoyl-2-cyanophenyl)-2-(2,6-dichloroanilino)benzimidazole-5-carboxylic acid
SMILESN#Cc1cc(C(N)=O)ccc1-n1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C22H13Cl2N5O3/c23-14-2-1-3-15(24)19(14)28-22-27-16-9-12(21(31)32)5-7-18(16)29(22)17-6-4-11(20(26)30)8-13(17)10-25/h1-9H,(H2,26,30)(H,27,28)(H,31,32)
InChIKeyWQSKLOIWPNZGRP-UHFFFAOYSA-N
XLogP4.74
TPSA134.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.28
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoyl-2-cyanophenyl)-2-(2,6-dichloroanilino)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(4-carbamoyl-2-cyanophenyl)-2-(2,6-dichloroanilino)benzimidazole-5-carboxylic acid (CID 67230325) is 1-(4-carbamoyl-2-cyanophenyl)-2-(2,6-dichloroanilino)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(4-carbamoyl-2-cyanophenyl)-2-(2,6-dichloroanilino)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(4-carbamoyl-2-cyanophenyl)-2-(2,6-dichloroanilino)benzimidazole-5-carboxylic acid is N#Cc1cc(C(N)=O)ccc1-n1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(4-carbamoyl-2-cyanophenyl)-2-(2,6-dichloroanilino)benzimidazole-5-carboxylic acid?
The InChIKey is WQSKLOIWPNZGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2N5O3/c23-14-2-1-3-15(24)19(14)28-22-27-16-9-12(21(31)32)5-7-18(16)29(22)17-6-4-11(20(26)30)8-13(17)10-25/h1-9H,(H2,26,30)(H,27,28)(H,31,32).
What are the key properties of 1-(4-carbamoyl-2-cyanophenyl)-2-(2,6-dichloroanilino)benzimidazole-5-carboxylic acid?
1-(4-carbamoyl-2-cyanophenyl)-2-(2,6-dichloroanilino)benzimidazole-5-carboxylic acid has a molecular weight of 466.28 g/mol, XLogP of 4.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamoyl-2-cyanophenyl)-2-(2,6-dichloroanilino)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 67230325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).