4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol

C29H24Cl2N4O2 — CID 157392946

IUPAC4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol
SMILESCOc1cccc(-n2c(C)nc3c(Cl)cccc32)c1.Cc1nc2c(Cl)cccc2n1-c1cccc(O)c1
InChIInChI=1S/C15H13ClN2O.C14H11ClN2O/c1-10-17-15-13(16)7-4-8-14(15)18(10)11-5-3-6-12(9-11)19-2;1-9-16-14-12(15)6-3-7-13(14)17(9)10-4-2-5-11(18)8-10/h3-9H,1-2H3;2-8,18H,1H3
InChIKeyBMFMYJVPGFQPSC-UHFFFAOYSA-N
MW531.44 g/mol
LogP7.69
Rot. Bonds3

About 4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol

4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol (PubChem CID 157392946) has the molecular formula C29H24Cl2N4O2 and a molecular weight of 531.44 g/mol. Its IUPAC name is 4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol.

Molecular Properties

Compound Name4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol
PubChem CID157392946
Molecular FormulaC29H24Cl2N4O2
Molecular Weight531.44 g/mol
Exact Mass530.13
IUPAC Name4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol
SMILESCOc1cccc(-n2c(C)nc3c(Cl)cccc32)c1.Cc1nc2c(Cl)cccc2n1-c1cccc(O)c1
InChIInChI=1S/C15H13ClN2O.C14H11ClN2O/c1-10-17-15-13(16)7-4-8-14(15)18(10)11-5-3-6-12(9-11)19-2;1-9-16-14-12(15)6-3-7-13(14)17(9)10-4-2-5-11(18)8-10/h3-9H,1-2H3;2-8,18H,1H3
InChIKeyBMFMYJVPGFQPSC-UHFFFAOYSA-N
XLogP7.69
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.44
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol 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

4-chloro-1-(3-methylphenyl)benzimidazol-2-amine
CID 104836856
4-chloro-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 104836895
3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol
CID 58393454
6-chloro-7-(3-methoxyphenyl)-8-methylpurine
CID 132588134
ethane;3-methoxyphenol
CID 142018283
sodium 3-methoxyphenol
CID 19079440
[3-[2-methyl-4-(trifluoromethyl)benzimidazol-1-yl]phenyl] trifluoromethanesulfonate
CID 86650923
4-(3-methoxyphenyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 3843100
3-(2-chlorobenzimidazol-1-yl)phenol
CID 84802691
4-chloro-1-(3-fluorophenyl)benzimidazol-2-amine
CID 104836818
2-(2-chlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrrole
CID 91755872
6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 115470387

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol?
The IUPAC name of 4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol (CID 157392946) is 4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol.
What is the SMILES notation for 4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol?
The canonical SMILES for 4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol is COc1cccc(-n2c(C)nc3c(Cl)cccc32)c1.Cc1nc2c(Cl)cccc2n1-c1cccc(O)c1.
What is the InChIKey of 4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol?
The InChIKey is BMFMYJVPGFQPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O.C14H11ClN2O/c1-10-17-15-13(16)7-4-8-14(15)18(10)11-5-3-6-12(9-11)19-2;1-9-16-14-12(15)6-3-7-13(14)17(9)10-4-2-5-11(18)8-10/h3-9H,1-2H3;2-8,18H,1H3.
What are the key properties of 4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol?
4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol has a molecular weight of 531.44 g/mol, XLogP of 7.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol is sourced from PubChem (CID 157392946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).