2-[4-[[2-(4-chlorophenyl)-5-(cyclopropylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride

C37H34Cl2FN3O4 — CID 69469931

IUPAC2-[4-[[2-(4-chlorophenyl)-5-(cyclopropylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)NC4CC4)ccc3-c3ccc(Cl)cc3)cc1F)n2C1CCCCC1
InChIInChI=1S/C37H33ClFN3O4.ClH/c38-26-10-6-22(7-11-26)30-15-8-23(36(43)40-27-12-13-27)18-25(30)21-46-29-14-16-31(32(39)20-29)35-41-33-19-24(37(44)45)9-17-34(33)42(35)28-4-2-1-3-5-28;/h6-11,14-20,27-28H,1-5,12-13,21H2,(H,40,43)(H,44,45);1H
InChIKeyODJCZCLWOJQOIW-UHFFFAOYSA-N
MW674.60 g/mol
LogP9.26
Rot. Bonds9

About 2-[4-[[2-(4-chlorophenyl)-5-(cyclopropylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride

2-[4-[[2-(4-chlorophenyl)-5-(cyclopropylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride (PubChem CID 69469931) has the molecular formula C37H34Cl2FN3O4 and a molecular weight of 674.60 g/mol. Its IUPAC name is 2-[4-[[2-(4-chlorophenyl)-5-(cyclopropylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-[4-[[2-(4-chlorophenyl)-5-(cyclopropylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride
PubChem CID69469931
Molecular FormulaC37H34Cl2FN3O4
Molecular Weight674.60 g/mol
Exact Mass673.19
IUPAC Name2-[4-[[2-(4-chlorophenyl)-5-(cyclopropylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)NC4CC4)ccc3-c3ccc(Cl)cc3)cc1F)n2C1CCCCC1
InChIInChI=1S/C37H33ClFN3O4.ClH/c38-26-10-6-22(7-11-26)30-15-8-23(36(43)40-27-12-13-27)18-25(30)21-46-29-14-16-31(32(39)20-29)35-41-33-19-24(37(44)45)9-17-34(33)42(35)28-4-2-1-3-5-28;/h6-11,14-20,27-28H,1-5,12-13,21H2,(H,40,43)(H,44,45);1H
InChIKeyODJCZCLWOJQOIW-UHFFFAOYSA-N
XLogP9.26
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.60
LogP ≤ 59.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[2-(4-chlorophenyl)-5-(cyclopropylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride 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

2-[4-[[2-(4-chlorophenyl)-5-(diethylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride
CID 69471361
1-cyclohexyl-2-[4-[[5-(cyclohexylcarbamoyl)-2-morpholin-4-ylphenyl]methoxy]-2-fluorophenyl]benzimidazole-5-carboxylic acid
CID 142999825
2-[4-[[2-(4-chlorophenyl)-4-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride
CID 69472538
2-[4-[[5-carbamoyl-2-(4-chlorophenyl)phenyl]methoxy]-2-fluorophenyl]-1-(3-methylcyclohexyl)benzimidazole-5-carboxylic acid
CID 163640152
2-[4-[[2-(4-chlorophenyl)-5-(2-pyridin-4-ylethylcarbamoyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;dihydrochloride
CID 69471953
4-(4-chlorophenyl)-3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]benzamide
CID 141060824
2-[4-[[2-(4-chlorophenyl)-5-(dimethylcarbamoyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 11845101
2-[4-[[2-(4-chlorophenyl)-5-methylphenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;formamide
CID 142962536
4-(4-chlorophenyl)-3-[[4-[1-cyclohexyl-5-(2H-tetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]benzoic acid
CID 6483197
2-[4-[[2-(4-chlorophenyl)-5-(dimethylsulfamoyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride
CID 69473426
1-cyclohexyl-2-[2-fluoro-4-[[2-(4-iodophenyl)-5-(2-oxoimidazolidin-1-yl)phenyl]methoxy]phenyl]benzimidazole-5-carboxylic acid
CID 70876730
methyl 2-[4-[[2-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylate
CID 10122322

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-chlorophenyl)-5-(cyclopropylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 2-[4-[[2-(4-chlorophenyl)-5-(cyclopropylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride (CID 69469931) is 2-[4-[[2-(4-chlorophenyl)-5-(cyclopropylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-[4-[[2-(4-chlorophenyl)-5-(cyclopropylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 2-[4-[[2-(4-chlorophenyl)-5-(cyclopropylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)NC4CC4)ccc3-c3ccc(Cl)cc3)cc1F)n2C1CCCCC1.
What is the InChIKey of 2-[4-[[2-(4-chlorophenyl)-5-(cyclopropylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride?
The InChIKey is ODJCZCLWOJQOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33ClFN3O4.ClH/c38-26-10-6-22(7-11-26)30-15-8-23(36(43)40-27-12-13-27)18-25(30)21-46-29-14-16-31(32(39)20-29)35-41-33-19-24(37(44)45)9-17-34(33)42(35)28-4-2-1-3-5-28;/h6-11,14-20,27-28H,1-5,12-13,21H2,(H,40,43)(H,44,45);1H.
What are the key properties of 2-[4-[[2-(4-chlorophenyl)-5-(cyclopropylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride?
2-[4-[[2-(4-chlorophenyl)-5-(cyclopropylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride has a molecular weight of 674.60 g/mol, XLogP of 9.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-chlorophenyl)-5-(cyclopropylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 69469931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).