methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate

C11H13N3O3 — CID 82562607

IUPACmethyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate
SMILESCOC(=O)CNc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C11H13N3O3/c1-16-7-3-4-8-9(5-7)14-11(13-8)12-6-10(15)17-2/h3-5H,6H2,1-2H3,(H2,12,13,14)
InChIKeyLQRKWAKIUWWOQB-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.16
Rot. Bonds4

About methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate

methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate (PubChem CID 82562607) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate
PubChem CID82562607
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Namemethyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate
SMILESCOC(=O)CNc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C11H13N3O3/c1-16-7-3-4-8-9(5-7)14-11(13-8)12-6-10(15)17-2/h3-5H,6H2,1-2H3,(H2,12,13,14)
InChIKeyLQRKWAKIUWWOQB-UHFFFAOYSA-N
XLogP1.16
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetic acid
CID 82562608
2-[(2-methoxy-2-oxoethyl)amino]-3H-benzimidazole-5-carboxylic acid
CID 54123271
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
ethyl 2-[(6-methyl-1H-benzimidazol-2-yl)amino]acetate
CID 82562533
N-[(3-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-amine
CID 82564361
2-cyclopentylidene-N-(6-methoxy-1H-benzimidazol-2-yl)propanamide
CID 167780321
6-methoxy-N-(3-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562561
6-methoxy-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1H-benzimidazol-2-amine
CID 129189179
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 50878343
6-methoxy-N-(2-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562560
methyl N-[6-(4-methoxyphenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 11221181

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate?
The IUPAC name of methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate (CID 82562607) is methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate is COC(=O)CNc1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate?
The InChIKey is LQRKWAKIUWWOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-16-7-3-4-8-9(5-7)14-11(13-8)12-6-10(15)17-2/h3-5H,6H2,1-2H3,(H2,12,13,14).
What are the key properties of methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate?
methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate has a molecular weight of 235.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)amino]acetate is sourced from PubChem (CID 82562607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).