methyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate

C14H19N3O2 — CID 115233172

IUPACmethyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate
SMILESCOC(=O)CN(C)CCc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-10-15-12-5-4-11(8-13(12)16-10)6-7-17(2)9-14(18)19-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,16)
InChIKeyIHVQBJVBILRIAZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.52
Rot. Bonds5

About methyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate

methyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate (PubChem CID 115233172) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate
PubChem CID115233172
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namemethyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate
SMILESCOC(=O)CN(C)CCc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-10-15-12-5-4-11(8-13(12)16-10)6-7-17(2)9-14(18)19-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,16)
InChIKeyIHVQBJVBILRIAZ-UHFFFAOYSA-N
XLogP1.52
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]ethanethiol
CID 115224402
2-chloro-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]acetamide
CID 115162214
3-amino-N-methyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 115153098
methyl 2-[methyl(2-naphthalen-2-ylethyl)amino]acetate
CID 115233197
[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol
CID 115229198
N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
CID 116847491
methyl 2-amino-5-(2-methyl-3H-benzimidazol-5-yl)pentanoate
CID 116851631
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791451
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167417
2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791460
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate (CID 115233172) is methyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate is COC(=O)CN(C)CCc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of methyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate?
The InChIKey is IHVQBJVBILRIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-15-12-5-4-11(8-13(12)16-10)6-7-17(2)9-14(18)19-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate?
methyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate has a molecular weight of 261.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]amino]acetate is sourced from PubChem (CID 115233172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).