methyl N-(1H-benzimidazol-2-yl)carbamate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate

C24H30N4O6 — CID 53463240

IUPACmethyl N-(1H-benzimidazol-2-yl)carbamate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
SMILESCOC(=O)Nc1nc2ccccc2[nH]1.COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC
InChIInChI=1S/C15H21NO4.C9H9N3O2/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5;1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h6-8,12H,9H2,1-5H3;2-5H,1H3,(H2,10,11,12,13)
InChIKeyYCKSWZKPFACWJN-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.59
Rot. Bonds6

About methyl N-(1H-benzimidazol-2-yl)carbamate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate

methyl N-(1H-benzimidazol-2-yl)carbamate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate (PubChem CID 53463240) has the molecular formula C24H30N4O6 and a molecular weight of 470.53 g/mol. Its IUPAC name is methyl N-(1H-benzimidazol-2-yl)carbamate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate.

Molecular Properties

Compound Namemethyl N-(1H-benzimidazol-2-yl)carbamate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
PubChem CID53463240
Molecular FormulaC24H30N4O6
Molecular Weight470.53 g/mol
Exact Mass470.22
IUPAC Namemethyl N-(1H-benzimidazol-2-yl)carbamate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
SMILESCOC(=O)Nc1nc2ccccc2[nH]1.COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC
InChIInChI=1S/C15H21NO4.C9H9N3O2/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5;1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h6-8,12H,9H2,1-5H3;2-5H,1H3,(H2,10,11,12,13)
InChIKeyYCKSWZKPFACWJN-UHFFFAOYSA-N
XLogP3.59
TPSA122.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

aluminum;tris(ethoxy-oxido-oxophosphanium);methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 173363857
2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate
CID 175010873
(2-methylphenyl) N-(1H-benzimidazol-2-yl)carbamate
CID 139747232
methyl (2R)-2-(N-(2-chloroacetyl)-2,6-dimethylanilino)propanoate
CID 169090005
methyl N-(1H-benzimidazol-2-yl)carbamoperoxoate
CID 13411944
methyl (2S)-2-(3-hydroxy-N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 57493569
methyl N-[6-(2-methylphenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 70629928
methyl 2-(1H-benzimidazol-2-ylamino)propanoate
CID 51059105
methyl 2-(N-[2-[(2-amino-1-cyano-2-oxoethylidene)amino]oxyacetyl]-2,6-dimethylanilino)propanoate
CID 54075497
(2S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565252
(2S,3S)-2-amino-N-(1H-benzimidazol-2-yl)-3-methylpentanamide
CID 63565253
(2,3,4,5,6-pentafluorophenyl)methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
CID 91747601

Frequently Asked Questions

What is the IUPAC name of methyl N-(1H-benzimidazol-2-yl)carbamate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate?
The IUPAC name of methyl N-(1H-benzimidazol-2-yl)carbamate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate (CID 53463240) is methyl N-(1H-benzimidazol-2-yl)carbamate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate.
What is the SMILES notation for methyl N-(1H-benzimidazol-2-yl)carbamate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate?
The canonical SMILES for methyl N-(1H-benzimidazol-2-yl)carbamate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate is COC(=O)Nc1nc2ccccc2[nH]1.COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC.
What is the InChIKey of methyl N-(1H-benzimidazol-2-yl)carbamate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate?
The InChIKey is YCKSWZKPFACWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4.C9H9N3O2/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5;1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h6-8,12H,9H2,1-5H3;2-5H,1H3,(H2,10,11,12,13).
What are the key properties of methyl N-(1H-benzimidazol-2-yl)carbamate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate?
methyl N-(1H-benzimidazol-2-yl)carbamate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate has a molecular weight of 470.53 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1H-benzimidazol-2-yl)carbamate;methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate is sourced from PubChem (CID 53463240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).