methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate

C14H19N3O2 — CID 116910227

IUPACmethyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate
SMILESCOC(=O)CC(c1ccc2c(c1)ncn2C)N(C)C
InChIInChI=1S/C14H19N3O2/c1-16(2)13(8-14(18)19-4)10-5-6-12-11(7-10)15-9-17(12)3/h5-7,9,13H,8H2,1-4H3
InChIKeyOHZKEGXBJLMCPX-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.74
Rot. Bonds4

About methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate

methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate (PubChem CID 116910227) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate
PubChem CID116910227
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namemethyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate
SMILESCOC(=O)CC(c1ccc2c(c1)ncn2C)N(C)C
InChIInChI=1S/C14H19N3O2/c1-16(2)13(8-14(18)19-4)10-5-6-12-11(7-10)15-9-17(12)3/h5-7,9,13H,8H2,1-4H3
InChIKeyOHZKEGXBJLMCPX-UHFFFAOYSA-N
XLogP1.74
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate?
The IUPAC name of methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate (CID 116910227) is methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate.
What is the SMILES notation for methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate?
The canonical SMILES for methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate is COC(=O)CC(c1ccc2c(c1)ncn2C)N(C)C.
What is the InChIKey of methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate?
The InChIKey is OHZKEGXBJLMCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16(2)13(8-14(18)19-4)10-5-6-12-11(7-10)15-9-17(12)3/h5-7,9,13H,8H2,1-4H3.
What are the key properties of methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate?
methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate has a molecular weight of 261.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)-3-(1-methylbenzimidazol-5-yl)propanoate is sourced from PubChem (CID 116910227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).