2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid

C15H10BrClN2O2 — CID 81291998

IUPAC2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccc(Br)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C15H10BrClN2O2/c16-10-6-5-9(7-11(10)17)15-18-12-3-1-2-4-13(12)19(15)8-14(20)21/h1-7H,8H2,(H,20,21)
InChIKeyADSUTNDQDRBMEY-UHFFFAOYSA-N
MW365.61 g/mol
LogP4.20
Rot. Bonds3

About 2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid

2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid (PubChem CID 81291998) has the molecular formula C15H10BrClN2O2 and a molecular weight of 365.61 g/mol. Its IUPAC name is 2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid
PubChem CID81291998
Molecular FormulaC15H10BrClN2O2
Molecular Weight365.61 g/mol
Exact Mass363.96
IUPAC Name2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccc(Br)c(Cl)c2)nc2ccccc21
InChIInChI=1S/C15H10BrClN2O2/c16-10-6-5-9(7-11(10)17)15-18-12-3-1-2-4-13(12)19(15)8-14(20)21/h1-7H,8H2,(H,20,21)
InChIKeyADSUTNDQDRBMEY-UHFFFAOYSA-N
XLogP4.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylbenzimidazol-1-yl)acetic acid
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2-[2-(furan-3-yl)benzimidazol-1-yl]acetic acid
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2-[2-(2,5-dichlorothiophen-3-yl)benzimidazol-1-yl]acetic acid
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2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid
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2-[2-(1H-pyrazol-4-yl)benzimidazol-1-yl]acetic acid
CID 63078726
2-[2-(3-ethoxy-4-propoxyphenyl)benzimidazol-1-yl]acetic acid
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2-(2-methylbenzimidazol-1-yl)acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid (CID 81291998) is 2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid is O=C(O)Cn1c(-c2ccc(Br)c(Cl)c2)nc2ccccc21.
What is the InChIKey of 2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid?
The InChIKey is ADSUTNDQDRBMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2/c16-10-6-5-9(7-11(10)17)15-18-12-3-1-2-4-13(12)19(15)8-14(20)21/h1-7H,8H2,(H,20,21).
What are the key properties of 2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid?
2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid has a molecular weight of 365.61 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-3-chlorophenyl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 81291998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).