ethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate

C17H24N2O2 — CID 79480777

IUPACethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate
SMILESCCOC(=O)C(CC)c1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-6-12(16(20)21-7-2)15-18-13-10-8-9-11-14(13)19(15)17(3,4)5/h8-12H,6-7H2,1-5H3
InChIKeyDYDFXXKKYNDOEN-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.85
Rot. Bonds4

About ethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate

ethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate (PubChem CID 79480777) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate
PubChem CID79480777
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nameethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate
SMILESCCOC(=O)C(CC)c1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-6-12(16(20)21-7-2)15-18-13-10-8-9-11-14(13)19(15)17(3,4)5/h8-12H,6-7H2,1-5H3
InChIKeyDYDFXXKKYNDOEN-UHFFFAOYSA-N
XLogP3.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate
CID 83441215
1-(1-tert-butylbenzimidazol-2-yl)-3-methoxypropan-1-amine
CID 62479144
ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate
CID 79480772
2-(1-tert-butylbenzimidazol-2-yl)-2-methoxyethanamine
CID 114144442
3-amino-1-(1-tert-butylbenzimidazol-2-yl)propan-1-ol
CID 107835391
(1-tert-butylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 62696105
ethyl 3-methyl-2-(1-methylbenzimidazol-2-yl)butanoate
CID 79474556
ethyl 2-(1-propylbenzimidazol-2-yl)propanoate
CID 79475436
ethyl 2-(6-chloro-1-methylbenzimidazol-2-yl)butanoate
CID 113316506
ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate
CID 79474558
2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid
CID 82144552
1-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 43470294

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate?
The IUPAC name of ethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate (CID 79480777) is ethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate.
What is the SMILES notation for ethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate?
The canonical SMILES for ethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate is CCOC(=O)C(CC)c1nc2ccccc2n1C(C)(C)C.
What is the InChIKey of ethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate?
The InChIKey is DYDFXXKKYNDOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-6-12(16(20)21-7-2)15-18-13-10-8-9-11-14(13)19(15)17(3,4)5/h8-12H,6-7H2,1-5H3.
What are the key properties of ethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate?
ethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate has a molecular weight of 288.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate is sourced from PubChem (CID 79480777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).