methyl 2-(1H-benzimidazol-2-yl)acetate;hydrochloride

C10H11ClN2O2 — CID 6603628

IUPACmethyl 2-(1H-benzimidazol-2-yl)acetate;hydrochloride
SMILESCOC(=O)Cc1nc2ccccc2[nH]1.Cl
InChIInChI=1S/C10H10N2O2.ClH/c1-14-10(13)6-9-11-7-4-2-3-5-8(7)12-9;/h2-5H,6H2,1H3,(H,11,12);1H
InChIKeyWPVAFCYVAVDGAZ-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.70
Rot. Bonds2

About methyl 2-(1H-benzimidazol-2-yl)acetate;hydrochloride

methyl 2-(1H-benzimidazol-2-yl)acetate;hydrochloride (PubChem CID 6603628) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is methyl 2-(1H-benzimidazol-2-yl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(1H-benzimidazol-2-yl)acetate;hydrochloride
PubChem CID6603628
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Namemethyl 2-(1H-benzimidazol-2-yl)acetate;hydrochloride
SMILESCOC(=O)Cc1nc2ccccc2[nH]1.Cl
InChIInChI=1S/C10H10N2O2.ClH/c1-14-10(13)6-9-11-7-4-2-3-5-8(7)12-9;/h2-5H,6H2,1H3,(H,11,12);1H
InChIKeyWPVAFCYVAVDGAZ-UHFFFAOYSA-N
XLogP1.70
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-benzimidazol-2-yl)acetate;hydrochloride?
The IUPAC name of methyl 2-(1H-benzimidazol-2-yl)acetate;hydrochloride (CID 6603628) is methyl 2-(1H-benzimidazol-2-yl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(1H-benzimidazol-2-yl)acetate;hydrochloride?
The canonical SMILES for methyl 2-(1H-benzimidazol-2-yl)acetate;hydrochloride is COC(=O)Cc1nc2ccccc2[nH]1.Cl.
What is the InChIKey of methyl 2-(1H-benzimidazol-2-yl)acetate;hydrochloride?
The InChIKey is WPVAFCYVAVDGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.ClH/c1-14-10(13)6-9-11-7-4-2-3-5-8(7)12-9;/h2-5H,6H2,1H3,(H,11,12);1H.
What are the key properties of methyl 2-(1H-benzimidazol-2-yl)acetate;hydrochloride?
methyl 2-(1H-benzimidazol-2-yl)acetate;hydrochloride has a molecular weight of 226.66 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-benzimidazol-2-yl)acetate;hydrochloride is sourced from PubChem (CID 6603628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).