2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid

C18H16Cl2N2O2 — CID 145203620

IUPAC2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid
SMILESCc1cc(C)c2nc(Cc3c(Cl)ccc(C(=O)O)c3Cl)n(C)c2c1
InChIInChI=1S/C18H16Cl2N2O2/c1-9-6-10(2)17-14(7-9)22(3)15(21-17)8-12-13(19)5-4-11(16(12)20)18(23)24/h4-7H,8H2,1-3H3,(H,23,24)
InChIKeyVKUKMTGDDUZYOY-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.79
Rot. Bonds3

About 2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid

2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid (PubChem CID 145203620) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid
PubChem CID145203620
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid
SMILESCc1cc(C)c2nc(Cc3c(Cl)ccc(C(=O)O)c3Cl)n(C)c2c1
InChIInChI=1S/C18H16Cl2N2O2/c1-9-6-10(2)17-14(7-9)22(3)15(21-17)8-12-13(19)5-4-11(16(12)20)18(23)24/h4-7H,8H2,1-3H3,(H,23,24)
InChIKeyVKUKMTGDDUZYOY-UHFFFAOYSA-N
XLogP4.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(4-propylpiperazin-1-yl)methanone
CID 160745487
2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid
CID 84638251
2,4-dichloro-3-[(1,4-dimethyl-6-nitrosoindol-2-yl)methyl]benzoic acid
CID 146494487
2-[[2,6-dichloro-3-(4-ethylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(methoxymethyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile;2-[[2,6-dichloro-3-[4-(2-methylbutan-2-yl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile
CID 159248405
2-[[2,6-dichloro-3-(methylsulfanyloxymethyl)phenyl]methyl]-1,4-dimethyl-6-(trifluoromethyl)benzimidazole
CID 145206284
2-[[2,6-dichloro-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,4-dimethyl-6-(trifluoromethyl)benzimidazole
CID 161441917
[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methoxypyrrolidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-methylpyrrolidin-1-yl)methanone;[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]-(3-propylpyrrolidin-1-yl)methanone
CID 160868988
[[2-[(2,6-dichloro-3-methylphenyl)methyl]-3,7-dimethylbenzimidazol-5-yl]-difluoromethyl]phosphane;3-(2-hydroxyethyl)azetidine-1-carbaldehyde
CID 145206460
2-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)benzimidazol-2-yl]methyl]phenyl]piperazine-1-carbaldehyde
CID 156678544
azane;4,5-diethyl-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 69090698
N-[5-[2,4-dichloro-3-[(6-cyano-1,4-dimethylbenzimidazol-2-yl)methyl]phenyl]-3-methoxypentyl]formamide
CID 146493989
1,2,4,6-tetramethylbenzimidazole
CID 58565379

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid?
The IUPAC name of 2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid (CID 145203620) is 2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid.
What is the SMILES notation for 2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid?
The canonical SMILES for 2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid is Cc1cc(C)c2nc(Cc3c(Cl)ccc(C(=O)O)c3Cl)n(C)c2c1.
What is the InChIKey of 2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid?
The InChIKey is VKUKMTGDDUZYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-9-6-10(2)17-14(7-9)22(3)15(21-17)8-12-13(19)5-4-11(16(12)20)18(23)24/h4-7H,8H2,1-3H3,(H,23,24).
What are the key properties of 2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid?
2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid has a molecular weight of 363.24 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid is sourced from PubChem (CID 145203620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).