ethyl 2-(2-propylbenzimidazol-1-yl)butanoate

C16H22N2O2 — CID 115970669

IUPACethyl 2-(2-propylbenzimidazol-1-yl)butanoate
SMILESCCCc1nc2ccccc2n1C(CC)C(=O)OCC
InChIInChI=1S/C16H22N2O2/c1-4-9-15-17-12-10-7-8-11-14(12)18(15)13(5-2)16(19)20-6-3/h7-8,10-11,13H,4-6,9H2,1-3H3
InChIKeyLFZLNGDFCJEIOK-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.50
Rot. Bonds6

About ethyl 2-(2-propylbenzimidazol-1-yl)butanoate

ethyl 2-(2-propylbenzimidazol-1-yl)butanoate (PubChem CID 115970669) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethyl 2-(2-propylbenzimidazol-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(2-propylbenzimidazol-1-yl)butanoate
PubChem CID115970669
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Nameethyl 2-(2-propylbenzimidazol-1-yl)butanoate
SMILESCCCc1nc2ccccc2n1C(CC)C(=O)OCC
InChIInChI=1S/C16H22N2O2/c1-4-9-15-17-12-10-7-8-11-14(12)18(15)13(5-2)16(19)20-6-3/h7-8,10-11,13H,4-6,9H2,1-3H3
InChIKeyLFZLNGDFCJEIOK-UHFFFAOYSA-N
XLogP3.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate
CID 83038109
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
methyl 2-(2-methylbenzimidazol-1-yl)butanoate
CID 4000704
3-[2-(2-propylbenzimidazol-1-yl)butanoylamino]cyclobutane-1-carboxylic acid
CID 119062330
methyl 2-(2-aminobenzimidazol-1-yl)butanoate
CID 82358918
ethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate
CID 170885928
2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 75530812
1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine
CID 115970648
ethyl 2-[4-(2-ethylbenzimidazol-1-yl)phenyl]propanoate
CID 91163967
N'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide
CID 115970772
3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine
CID 112632091
ethyl 2-[(1-ethylbenzimidazol-2-yl)methyl]butanoate
CID 79753663

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-propylbenzimidazol-1-yl)butanoate?
The IUPAC name of ethyl 2-(2-propylbenzimidazol-1-yl)butanoate (CID 115970669) is ethyl 2-(2-propylbenzimidazol-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(2-propylbenzimidazol-1-yl)butanoate?
The canonical SMILES for ethyl 2-(2-propylbenzimidazol-1-yl)butanoate is CCCc1nc2ccccc2n1C(CC)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-propylbenzimidazol-1-yl)butanoate?
The InChIKey is LFZLNGDFCJEIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-9-15-17-12-10-7-8-11-14(12)18(15)13(5-2)16(19)20-6-3/h7-8,10-11,13H,4-6,9H2,1-3H3.
What are the key properties of ethyl 2-(2-propylbenzimidazol-1-yl)butanoate?
ethyl 2-(2-propylbenzimidazol-1-yl)butanoate has a molecular weight of 274.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-propylbenzimidazol-1-yl)butanoate is sourced from PubChem (CID 115970669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).