ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate

C16H22N2O2 — CID 83038109

IUPACethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)n1c(CC)nc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-4-9-14(16(19)20-6-3)18-13-11-8-7-10-12(13)17-15(18)5-2/h7-8,10-11,14H,4-6,9H2,1-3H3
InChIKeyNVUGQUKDQWGEMK-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.50
Rot. Bonds6

About ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate

ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate (PubChem CID 83038109) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate
PubChem CID83038109
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Nameethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate
SMILESCCCC(C(=O)OCC)n1c(CC)nc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-4-9-14(16(19)20-6-3)18-13-11-8-7-10-12(13)17-15(18)5-2/h7-8,10-11,14H,4-6,9H2,1-3H3
InChIKeyNVUGQUKDQWGEMK-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

Analyze ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(2-propylbenzimidazol-1-yl)butanoate
CID 115970669
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
ethyl 2-amino-3-(1-propan-2-ylbenzimidazol-2-yl)propanoate
CID 170885928
methyl 3-(2-ethylbenzimidazol-1-yl)butanoate
CID 63106169
ethyl 2-[4-(2-ethylbenzimidazol-1-yl)phenyl]propanoate
CID 91163967
3-(2-ethylbenzimidazol-1-yl)-2-methylbutanehydrazide
CID 79405139
(2R)-2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpentanamide
CID 93301607
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(2-ethylbenzimidazol-1-yl)butanamide
CID 72937875
methyl 2-(2-methylbenzimidazol-1-yl)butanoate
CID 4000704
ethyl 2-[(1-ethylbenzimidazol-2-yl)methyl]butanoate
CID 79753663
1-but-3-en-2-yl-2-ethylbenzimidazole
CID 116622499
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate?
The IUPAC name of ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate (CID 83038109) is ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate.
What is the SMILES notation for ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate?
The canonical SMILES for ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate is CCCC(C(=O)OCC)n1c(CC)nc2ccccc21.
What is the InChIKey of ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate?
The InChIKey is NVUGQUKDQWGEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-9-14(16(19)20-6-3)18-13-11-8-7-10-12(13)17-15(18)5-2/h7-8,10-11,14H,4-6,9H2,1-3H3.
What are the key properties of ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate?
ethyl 2-(2-ethylbenzimidazol-1-yl)pentanoate 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-ethylbenzimidazol-1-yl)pentanoate is sourced from PubChem (CID 83038109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).