2-[6-chloro-2-[(2,5-dichlorophenyl)methyl]benzimidazol-1-yl]acetic acid

C16H11Cl3N2O2 — CID 90098433

IUPAC2-[6-chloro-2-[(2,5-dichlorophenyl)methyl]benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(Cc2cc(Cl)ccc2Cl)nc2ccc(Cl)cc21
InChIInChI=1S/C16H11Cl3N2O2/c17-10-1-3-12(19)9(5-10)6-15-20-13-4-2-11(18)7-14(13)21(15)8-16(22)23/h1-5,7H,6,8H2,(H,22,23)
InChIKeyHUGAPWSBMXNNFC-UHFFFAOYSA-N
MW369.64 g/mol
LogP4.67
Rot. Bonds4

About 2-[6-chloro-2-[(2,5-dichlorophenyl)methyl]benzimidazol-1-yl]acetic acid

2-[6-chloro-2-[(2,5-dichlorophenyl)methyl]benzimidazol-1-yl]acetic acid (PubChem CID 90098433) has the molecular formula C16H11Cl3N2O2 and a molecular weight of 369.64 g/mol. Its IUPAC name is 2-[6-chloro-2-[(2,5-dichlorophenyl)methyl]benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-2-[(2,5-dichlorophenyl)methyl]benzimidazol-1-yl]acetic acid
PubChem CID90098433
Molecular FormulaC16H11Cl3N2O2
Molecular Weight369.64 g/mol
Exact Mass367.99
IUPAC Name2-[6-chloro-2-[(2,5-dichlorophenyl)methyl]benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(Cc2cc(Cl)ccc2Cl)nc2ccc(Cl)cc21
InChIInChI=1S/C16H11Cl3N2O2/c17-10-1-3-12(19)9(5-10)6-15-20-13-4-2-11(18)7-14(13)21(15)8-16(22)23/h1-5,7H,6,8H2,(H,22,23)
InChIKeyHUGAPWSBMXNNFC-UHFFFAOYSA-N
XLogP4.67
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.64
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid
CID 84735746
2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid
CID 83849999
2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide
CID 115470747
3-(6-chloro-1-ethylbenzimidazol-2-yl)propanoic acid
CID 54772684
1,2-dibenzyl-6-chlorobenzimidazole
CID 46311010
2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 115471116
6-chloro-2-[(4-chlorophenyl)methyl]-1-ethylbenzimidazole
CID 46310462
3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308504
2-[5,6-dichloro-2-(methylsulfanylmethyl)benzimidazol-1-yl]acetic acid
CID 82004596
methyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate
CID 71813736
6-chloro-2-ethyl-1-propylbenzimidazole
CID 46310724
(1-benzyl-6-chlorobenzimidazol-2-yl)methanol
CID 46311001

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-[(2,5-dichlorophenyl)methyl]benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[6-chloro-2-[(2,5-dichlorophenyl)methyl]benzimidazol-1-yl]acetic acid (CID 90098433) is 2-[6-chloro-2-[(2,5-dichlorophenyl)methyl]benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-2-[(2,5-dichlorophenyl)methyl]benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-2-[(2,5-dichlorophenyl)methyl]benzimidazol-1-yl]acetic acid is O=C(O)Cn1c(Cc2cc(Cl)ccc2Cl)nc2ccc(Cl)cc21.
What is the InChIKey of 2-[6-chloro-2-[(2,5-dichlorophenyl)methyl]benzimidazol-1-yl]acetic acid?
The InChIKey is HUGAPWSBMXNNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2O2/c17-10-1-3-12(19)9(5-10)6-15-20-13-4-2-11(18)7-14(13)21(15)8-16(22)23/h1-5,7H,6,8H2,(H,22,23).
What are the key properties of 2-[6-chloro-2-[(2,5-dichlorophenyl)methyl]benzimidazol-1-yl]acetic acid?
2-[6-chloro-2-[(2,5-dichlorophenyl)methyl]benzimidazol-1-yl]acetic acid has a molecular weight of 369.64 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-[(2,5-dichlorophenyl)methyl]benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 90098433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).