2-[2-(2,5-dichlorothiophen-3-yl)benzimidazol-1-yl]acetic acid

C13H8Cl2N2O2S — CID 107963386

IUPAC2-[2-(2,5-dichlorothiophen-3-yl)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2cc(Cl)sc2Cl)nc2ccccc21
InChIInChI=1S/C13H8Cl2N2O2S/c14-10-5-7(12(15)20-10)13-16-8-3-1-2-4-9(8)17(13)6-11(18)19/h1-5H,6H2,(H,18,19)
InChIKeyVRJZZSMGCLTNNC-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.16
Rot. Bonds3

About 2-[2-(2,5-dichlorothiophen-3-yl)benzimidazol-1-yl]acetic acid

2-[2-(2,5-dichlorothiophen-3-yl)benzimidazol-1-yl]acetic acid (PubChem CID 107963386) has the molecular formula C13H8Cl2N2O2S and a molecular weight of 327.19 g/mol. Its IUPAC name is 2-[2-(2,5-dichlorothiophen-3-yl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,5-dichlorothiophen-3-yl)benzimidazol-1-yl]acetic acid
PubChem CID107963386
Molecular FormulaC13H8Cl2N2O2S
Molecular Weight327.19 g/mol
Exact Mass325.97
IUPAC Name2-[2-(2,5-dichlorothiophen-3-yl)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2cc(Cl)sc2Cl)nc2ccccc21
InChIInChI=1S/C13H8Cl2N2O2S/c14-10-5-7(12(15)20-10)13-16-8-3-1-2-4-9(8)17(13)6-11(18)19/h1-5H,6H2,(H,18,19)
InChIKeyVRJZZSMGCLTNNC-UHFFFAOYSA-N
XLogP4.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-chloro-4-methylphenyl)benzimidazol-1-yl]acetic acid
CID 106861835
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
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2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid
CID 43168780
2-[2-(4,5-dimethylthiophen-2-yl)benzimidazol-1-yl]acetic acid
CID 65238724
2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid
CID 81291998
2-[2-(5-chloro-2-phenylmethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 22687001
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-(2-quinolin-8-ylbenzimidazol-1-yl)acetic acid
CID 42634637
2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 86717111
2-[2-(furan-3-yl)benzimidazol-1-yl]acetic acid
CID 43349125
2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid
CID 106753326

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dichlorothiophen-3-yl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(2,5-dichlorothiophen-3-yl)benzimidazol-1-yl]acetic acid (CID 107963386) is 2-[2-(2,5-dichlorothiophen-3-yl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,5-dichlorothiophen-3-yl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(2,5-dichlorothiophen-3-yl)benzimidazol-1-yl]acetic acid is O=C(O)Cn1c(-c2cc(Cl)sc2Cl)nc2ccccc21.
What is the InChIKey of 2-[2-(2,5-dichlorothiophen-3-yl)benzimidazol-1-yl]acetic acid?
The InChIKey is VRJZZSMGCLTNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2S/c14-10-5-7(12(15)20-10)13-16-8-3-1-2-4-9(8)17(13)6-11(18)19/h1-5H,6H2,(H,18,19).
What are the key properties of 2-[2-(2,5-dichlorothiophen-3-yl)benzimidazol-1-yl]acetic acid?
2-[2-(2,5-dichlorothiophen-3-yl)benzimidazol-1-yl]acetic acid has a molecular weight of 327.19 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dichlorothiophen-3-yl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 107963386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).