methyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate

C14H18N2O2 — CID 96675259

IUPACmethyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate
SMILESCOC(=O)CCCc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C14H18N2O2/c1-10-15-12-9-11(5-4-6-14(17)18-3)7-8-13(12)16(10)2/h7-9H,4-6H2,1-3H3
InChIKeyJPRLLEBZLLGBFN-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.38
Rot. Bonds4

About methyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate

methyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate (PubChem CID 96675259) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate
PubChem CID96675259
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namemethyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate
SMILESCOC(=O)CCCc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C14H18N2O2/c1-10-15-12-9-11(5-4-6-14(17)18-3)7-8-13(12)16(10)2/h7-9H,4-6H2,1-3H3
InChIKeyJPRLLEBZLLGBFN-UHFFFAOYSA-N
XLogP2.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate?
The IUPAC name of methyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate (CID 96675259) is methyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate.
What is the SMILES notation for methyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate?
The canonical SMILES for methyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate is COC(=O)CCCc1ccc2c(c1)nc(C)n2C.
What is the InChIKey of methyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate?
The InChIKey is JPRLLEBZLLGBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-15-12-9-11(5-4-6-14(17)18-3)7-8-13(12)16(10)2/h7-9H,4-6H2,1-3H3.
What are the key properties of methyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate?
methyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate has a molecular weight of 246.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,2-dimethylbenzimidazol-5-yl)butanoate is sourced from PubChem (CID 96675259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).