methyl 2-(1H-benzimidazol-2-ylmethylamino)acetate

C11H13N3O2 — CID 134693314

IUPACmethyl 2-(1H-benzimidazol-2-ylmethylamino)acetate
SMILESCOC(=O)CNCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H13N3O2/c1-16-11(15)7-12-6-10-13-8-4-2-3-5-9(8)14-10/h2-5,12H,6-7H2,1H3,(H,13,14)
InChIKeyPKQVZGBMFIOACC-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.83
Rot. Bonds4

About methyl 2-(1H-benzimidazol-2-ylmethylamino)acetate

methyl 2-(1H-benzimidazol-2-ylmethylamino)acetate (PubChem CID 134693314) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 2-(1H-benzimidazol-2-ylmethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(1H-benzimidazol-2-ylmethylamino)acetate
PubChem CID134693314
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl 2-(1H-benzimidazol-2-ylmethylamino)acetate
SMILESCOC(=O)CNCc1nc2ccccc2[nH]1
InChIInChI=1S/C11H13N3O2/c1-16-11(15)7-12-6-10-13-8-4-2-3-5-9(8)14-10/h2-5,12H,6-7H2,1H3,(H,13,14)
InChIKeyPKQVZGBMFIOACC-UHFFFAOYSA-N
XLogP0.83
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-benzimidazol-2-ylmethylamino)acetate?
The IUPAC name of methyl 2-(1H-benzimidazol-2-ylmethylamino)acetate (CID 134693314) is methyl 2-(1H-benzimidazol-2-ylmethylamino)acetate.
What is the SMILES notation for methyl 2-(1H-benzimidazol-2-ylmethylamino)acetate?
The canonical SMILES for methyl 2-(1H-benzimidazol-2-ylmethylamino)acetate is COC(=O)CNCc1nc2ccccc2[nH]1.
What is the InChIKey of methyl 2-(1H-benzimidazol-2-ylmethylamino)acetate?
The InChIKey is PKQVZGBMFIOACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-16-11(15)7-12-6-10-13-8-4-2-3-5-9(8)14-10/h2-5,12H,6-7H2,1H3,(H,13,14).
What are the key properties of methyl 2-(1H-benzimidazol-2-ylmethylamino)acetate?
methyl 2-(1H-benzimidazol-2-ylmethylamino)acetate has a molecular weight of 219.24 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-benzimidazol-2-ylmethylamino)acetate is sourced from PubChem (CID 134693314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).