methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate

C13H17N3O2 — CID 116857134

IUPACmethyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate
SMILESCOC(=O)C(c1ccc2nc(C)[nH]c2c1)N(C)C
InChIInChI=1S/C13H17N3O2/c1-8-14-10-6-5-9(7-11(10)15-8)12(16(2)3)13(17)18-4/h5-7,12H,1-4H3,(H,14,15)
InChIKeyMPIYQBXAFZPOMC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.65
Rot. Bonds3

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

methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate (PubChem CID 116857134) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate
PubChem CID116857134
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Namemethyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate
SMILESCOC(=O)C(c1ccc2nc(C)[nH]c2c1)N(C)C
InChIInChI=1S/C13H17N3O2/c1-8-14-10-6-5-9(7-11(10)15-8)12(16(2)3)13(17)18-4/h5-7,12H,1-4H3,(H,14,15)
InChIKeyMPIYQBXAFZPOMC-UHFFFAOYSA-N
XLogP1.65
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116914786
4-(dimethylamino)-4-(2-methyl-3H-benzimidazol-5-yl)butan-2-one
CID 116910560
3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116850693
3-amino-N'-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanehydrazide
CID 116849707
2-[cyclopropyl(methyl)amino]-2-(2-methyl-3H-benzimidazol-5-yl)acetic acid
CID 116857491
ethyl 2-hydroxy-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 117340177
2-(methylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 116961662
1-[dimethylamino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine
CID 116914174
1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116961533
(2S)-2-(dimethylamino)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-(3-methylphenyl)acetamide
CID 99987005
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116947494

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate?
The IUPAC name of methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate (CID 116857134) is methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate?
The canonical SMILES for methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate is COC(=O)C(c1ccc2nc(C)[nH]c2c1)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate?
The InChIKey is MPIYQBXAFZPOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-14-10-6-5-9(7-11(10)15-8)12(16(2)3)13(17)18-4/h5-7,12H,1-4H3,(H,14,15).
What are the key properties of methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate?
methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate has a molecular weight of 247.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate is sourced from PubChem (CID 116857134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).