methyl 2-(4-bromo-2-chloro-1H-benzimidazol-5-yl)acetate

C10H8BrClN2O2 — CID 131400389

IUPACmethyl 2-(4-bromo-2-chloro-1H-benzimidazol-5-yl)acetate
SMILESCOC(=O)Cc1ccc2[nH]c(Cl)nc2c1Br
InChIInChI=1S/C10H8BrClN2O2/c1-16-7(15)4-5-2-3-6-9(8(5)11)14-10(12)13-6/h2-3H,4H2,1H3,(H,13,14)
InChIKeyFZHRSUGRUSOBKI-UHFFFAOYSA-N
MW303.54 g/mol
LogP2.69
Rot. Bonds2

About methyl 2-(4-bromo-2-chloro-1H-benzimidazol-5-yl)acetate

methyl 2-(4-bromo-2-chloro-1H-benzimidazol-5-yl)acetate (PubChem CID 131400389) has the molecular formula C10H8BrClN2O2 and a molecular weight of 303.54 g/mol. Its IUPAC name is methyl 2-(4-bromo-2-chloro-1H-benzimidazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-2-chloro-1H-benzimidazol-5-yl)acetate
PubChem CID131400389
Molecular FormulaC10H8BrClN2O2
Molecular Weight303.54 g/mol
Exact Mass301.95
IUPAC Namemethyl 2-(4-bromo-2-chloro-1H-benzimidazol-5-yl)acetate
SMILESCOC(=O)Cc1ccc2[nH]c(Cl)nc2c1Br
InChIInChI=1S/C10H8BrClN2O2/c1-16-7(15)4-5-2-3-6-9(8(5)11)14-10(12)13-6/h2-3H,4H2,1H3,(H,13,14)
InChIKeyFZHRSUGRUSOBKI-UHFFFAOYSA-N
XLogP2.69
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.54
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(8-bromo-2-chloroquinazolin-7-yl)acetate
CID 175012235
methyl 2-(3-bromo-2-chloro-4-pyridinyl)acetate
CID 130923502
2-(4-bromo-2-fluoro-1H-benzimidazol-5-yl)acetic acid
CID 131285842
methyl 2-(1-bromonaphthalen-2-yl)acetate
CID 14492154
methyl 2-[2-bromo-3-chloro-4-(trifluoromethyl)phenyl]acetate
CID 170995993
methyl 2-(3-bromo-2-chloro-4-iodophenyl)acetate
CID 171027522
methyl 4-bromo-2-fluoro-1H-benzimidazole-5-carboxylate
CID 131389404
methyl 2-(2-amino-1H-benzimidazol-4-yl)acetate
CID 131599439
methyl 2-(2-bromo-3-iodo-4-methylphenyl)acetate
CID 171026161
methyl 2-(4-bromo-2-chloro-3-hydroxyphenyl)acetate
CID 171027468
methyl 2-(6-bromo-2-methoxy-3-pyridinyl)acetate
CID 133098116
methyl 2-(6-amino-2-bromo-3-pyridinyl)acetate
CID 131211595

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-2-chloro-1H-benzimidazol-5-yl)acetate?
The IUPAC name of methyl 2-(4-bromo-2-chloro-1H-benzimidazol-5-yl)acetate (CID 131400389) is methyl 2-(4-bromo-2-chloro-1H-benzimidazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(4-bromo-2-chloro-1H-benzimidazol-5-yl)acetate?
The canonical SMILES for methyl 2-(4-bromo-2-chloro-1H-benzimidazol-5-yl)acetate is COC(=O)Cc1ccc2[nH]c(Cl)nc2c1Br.
What is the InChIKey of methyl 2-(4-bromo-2-chloro-1H-benzimidazol-5-yl)acetate?
The InChIKey is FZHRSUGRUSOBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O2/c1-16-7(15)4-5-2-3-6-9(8(5)11)14-10(12)13-6/h2-3H,4H2,1H3,(H,13,14).
What are the key properties of methyl 2-(4-bromo-2-chloro-1H-benzimidazol-5-yl)acetate?
methyl 2-(4-bromo-2-chloro-1H-benzimidazol-5-yl)acetate has a molecular weight of 303.54 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-2-chloro-1H-benzimidazol-5-yl)acetate is sourced from PubChem (CID 131400389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).