methyl 2-(7-bromo-3H-benzimidazol-5-yl)acetate

C10H9BrN2O2 — CID 131298320

IUPACmethyl 2-(7-bromo-3H-benzimidazol-5-yl)acetate
SMILESCOC(=O)Cc1cc(Br)c2nc[nH]c2c1
InChIInChI=1S/C10H9BrN2O2/c1-15-9(14)4-6-2-7(11)10-8(3-6)12-5-13-10/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyJLDNMJBBJFYUSH-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.04
Rot. Bonds2

About methyl 2-(7-bromo-3H-benzimidazol-5-yl)acetate

methyl 2-(7-bromo-3H-benzimidazol-5-yl)acetate (PubChem CID 131298320) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is methyl 2-(7-bromo-3H-benzimidazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(7-bromo-3H-benzimidazol-5-yl)acetate
PubChem CID131298320
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Namemethyl 2-(7-bromo-3H-benzimidazol-5-yl)acetate
SMILESCOC(=O)Cc1cc(Br)c2nc[nH]c2c1
InChIInChI=1S/C10H9BrN2O2/c1-15-9(14)4-6-2-7(11)10-8(3-6)12-5-13-10/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyJLDNMJBBJFYUSH-UHFFFAOYSA-N
XLogP2.04
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bromo-3H-benzimidazol-5-yl)-N-methylmethanamine
CID 83898803
methyl 2-[3,5-bis(bromomethyl)phenyl]acetate
CID 89250496
methyl 2-(3-bromo-4-iodo-5-methylphenyl)acetate
CID 171025956
2-(4-bromo-1H-benzimidazol-5-yl)acetic acid
CID 130848920
methyl 2-(3-bromo-4-chloro-5-iodophenyl)acetate
CID 171027574
methyl 2-(3-bromo-4-cyano-5-fluorophenyl)acetate
CID 131402010
methyl 2-(2-bromo-6-methoxy-4-pyridinyl)acetate
CID 133098117
methyl 2-(3-bromo-4-cyano-5-formylphenyl)acetate
CID 134634929
methyl 2-[3-(bromomethyl)-5-fluorophenyl]acetate
CID 99769923
methyl 2-[2-[(4-bromo-1H-indol-6-yl)methoxy]phenyl]acetate
CID 153350533
methyl 3-[3H-benzimidazol-5-ylmethyl(methyl)amino]propanoate
CID 115232458
methyl 2-[3-bromo-4-(trifluoromethyl)phenyl]acetate
CID 126597178

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-bromo-3H-benzimidazol-5-yl)acetate?
The IUPAC name of methyl 2-(7-bromo-3H-benzimidazol-5-yl)acetate (CID 131298320) is methyl 2-(7-bromo-3H-benzimidazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(7-bromo-3H-benzimidazol-5-yl)acetate?
The canonical SMILES for methyl 2-(7-bromo-3H-benzimidazol-5-yl)acetate is COC(=O)Cc1cc(Br)c2nc[nH]c2c1.
What is the InChIKey of methyl 2-(7-bromo-3H-benzimidazol-5-yl)acetate?
The InChIKey is JLDNMJBBJFYUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-15-9(14)4-6-2-7(11)10-8(3-6)12-5-13-10/h2-3,5H,4H2,1H3,(H,12,13).
What are the key properties of methyl 2-(7-bromo-3H-benzimidazol-5-yl)acetate?
methyl 2-(7-bromo-3H-benzimidazol-5-yl)acetate has a molecular weight of 269.10 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-bromo-3H-benzimidazol-5-yl)acetate is sourced from PubChem (CID 131298320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).