ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate

C17H24N2O2 — CID 79480772

IUPACethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)c1nc2ccccc2n1CC
InChIInChI=1S/C17H24N2O2/c1-5-19-15-10-8-7-9-14(15)18-16(19)13(11-12(3)4)17(20)21-6-2/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeyYMUVJPSNNDBNOC-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.75
Rot. Bonds6

About ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate

ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate (PubChem CID 79480772) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate
PubChem CID79480772
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nameethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)c1nc2ccccc2n1CC
InChIInChI=1S/C17H24N2O2/c1-5-19-15-10-8-7-9-14(15)18-16(19)13(11-12(3)4)17(20)21-6-2/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeyYMUVJPSNNDBNOC-UHFFFAOYSA-N
XLogP3.75
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(1-propylbenzimidazol-2-yl)propanoate
CID 79475436
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate
CID 83441215
4-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 120565069
ethyl 2-(1-tert-butylbenzimidazol-2-yl)butanoate
CID 79480777
ethyl 2-[(1-ethylbenzimidazol-2-yl)methyl]butanoate
CID 79753663
ethyl 3-methyl-2-(1-methylbenzimidazol-2-yl)butanoate
CID 79474556
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 60597479
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
ethyl 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)pentanoate
CID 79474968
1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876
(2R)-N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-prop-2-enoxypropanamide
CID 95234012

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate?
The IUPAC name of ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate (CID 79480772) is ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate.
What is the SMILES notation for ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate?
The canonical SMILES for ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate is CCOC(=O)C(CC(C)C)c1nc2ccccc2n1CC.
What is the InChIKey of ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate?
The InChIKey is YMUVJPSNNDBNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-19-15-10-8-7-9-14(15)18-16(19)13(11-12(3)4)17(20)21-6-2/h7-10,12-13H,5-6,11H2,1-4H3.
What are the key properties of ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate?
ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate has a molecular weight of 288.39 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-ethylbenzimidazol-2-yl)-4-methylpentanoate is sourced from PubChem (CID 79480772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).