1-(5,8-dichloroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxylic acid

C23H14Cl2N4O2 — CID 134362562

IUPAC1-(5,8-dichloroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cc(-c3ccncc3)cc2n1-c1ccnc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C23H14Cl2N4O2/c1-12-28-21-15(23(30)31)10-14(13-4-7-26-8-5-13)11-19(21)29(12)18-6-9-27-22-17(25)3-2-16(24)20(18)22/h2-11H,1H3,(H,30,31)
InChIKeyJECUPLNEUATONM-UHFFFAOYSA-N
MW449.30 g/mol
LogP5.95
Rot. Bonds3

About 1-(5,8-dichloroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxylic acid

1-(5,8-dichloroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxylic acid (PubChem CID 134362562) has the molecular formula C23H14Cl2N4O2 and a molecular weight of 449.30 g/mol. Its IUPAC name is 1-(5,8-dichloroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5,8-dichloroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxylic acid
PubChem CID134362562
Molecular FormulaC23H14Cl2N4O2
Molecular Weight449.30 g/mol
Exact Mass448.05
IUPAC Name1-(5,8-dichloroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cc(-c3ccncc3)cc2n1-c1ccnc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C23H14Cl2N4O2/c1-12-28-21-15(23(30)31)10-14(13-4-7-26-8-5-13)11-19(21)29(12)18-6-9-27-22-17(25)3-2-16(24)20(18)22/h2-11H,1H3,(H,30,31)
InChIKeyJECUPLNEUATONM-UHFFFAOYSA-N
XLogP5.95
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.30
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5,8-dichloroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-cyano-4-pyridinyl)-1-(5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylic acid
CID 134362617
ethyl 6-(2-chloro-4-pyridinyl)-1-(5,8-difluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboxylate
CID 134362539
[4-[7-carbamoyl-3-(8-chloro-5-fluoroquinolin-4-yl)-2-propan-2-ylbenzimidazol-5-yl]-2-pyridinyl]carbamic acid
CID 134362755
1-(5-fluoroquinolin-4-yl)-2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]benzimidazole-4-carboxylic acid
CID 134362628
1-[6-[2-(difluoromethyl)-4-pyridinyl]-1-(5,8-difluoroquinolin-4-yl)-2-methylbenzimidazol-4-yl]ethanone
CID 163595032
5,8-difluoro-4-[2-methyl-6-pyridin-4-yl-4-(1H-1,2,4-triazol-5-yl)benzimidazol-1-yl]quinoline
CID 134372848
1-(5,8-difluoroquinolin-4-yl)-6-(2-fluoro-6-methyl-4-pyridinyl)-2-methylbenzimidazole-4-carboxamide
CID 134362588
[4-[7-carbamoyl-3-(5-fluoroquinolin-4-yl)-2-methylbenzimidazol-5-yl]-2-pyridinyl]carbamic acid
CID 134362546
N-(1-aminoethylidene)-6-(2-amino-3-fluoro-4-pyridinyl)-1-(8-chloro-5-fluoroquinolin-4-yl)-2-methylbenzimidazole-4-carboximidamide
CID 142311575
4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]pyridine-2-carbonitrile
CID 134381252
1-(7-fluoroquinolin-4-yl)-2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]benzimidazole-4-carboxylic acid
CID 134362697
1-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115542746

Frequently Asked Questions

What is the IUPAC name of 1-(5,8-dichloroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxylic acid?
The IUPAC name of 1-(5,8-dichloroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxylic acid (CID 134362562) is 1-(5,8-dichloroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(5,8-dichloroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(5,8-dichloroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxylic acid is Cc1nc2c(C(=O)O)cc(-c3ccncc3)cc2n1-c1ccnc2c(Cl)ccc(Cl)c12.
What is the InChIKey of 1-(5,8-dichloroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxylic acid?
The InChIKey is JECUPLNEUATONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N4O2/c1-12-28-21-15(23(30)31)10-14(13-4-7-26-8-5-13)11-19(21)29(12)18-6-9-27-22-17(25)3-2-16(24)20(18)22/h2-11H,1H3,(H,30,31).
What are the key properties of 1-(5,8-dichloroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxylic acid?
1-(5,8-dichloroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxylic acid has a molecular weight of 449.30 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,8-dichloroquinolin-4-yl)-2-methyl-6-pyridin-4-ylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 134362562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).