methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate

C14H19N3O2 — CID 115128288

IUPACmethyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Nc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C14H19N3O2/c1-9-15-11-8-10(6-7-12(11)17(9)4)16-14(2,3)13(18)19-5/h6-8,16H,1-5H3
InChIKeyVYCJNZDAQGXAAN-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.25
Rot. Bonds3

About methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate

methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate (PubChem CID 115128288) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate
PubChem CID115128288
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namemethyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)Nc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C14H19N3O2/c1-9-15-11-8-10(6-7-12(11)17(9)4)16-14(2,3)13(18)19-5/h6-8,16H,1-5H3
InChIKeyVYCJNZDAQGXAAN-UHFFFAOYSA-N
XLogP2.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate
CID 115232706
3-[(1,2-dimethylbenzimidazol-5-yl)amino]-2,2-dimethylpropanoic acid
CID 115136437
1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one
CID 115234497
methyl 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanoate
CID 115128289
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
N-(chloromethyl)-1,2-dimethylbenzimidazol-5-amine
CID 115262747
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
3-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-1-ol
CID 115216675
ethyl 2-methyl-2-[(1-methylbenzimidazol-5-yl)amino]propanoate
CID 115128693
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate (CID 115128288) is methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate is COC(=O)C(C)(C)Nc1ccc2c(c1)nc(C)n2C.
What is the InChIKey of methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate?
The InChIKey is VYCJNZDAQGXAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-15-11-8-10(6-7-12(11)17(9)4)16-14(2,3)13(18)19-5/h6-8,16H,1-5H3.
What are the key properties of methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate?
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate has a molecular weight of 261.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 115128288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).