ethyl 3-hydroxy-3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)propanoate

C18H20N2O3 — CID 57218693

IUPACethyl 3-hydroxy-3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)propanoate
SMILESCCOC(=O)CC(O)N1c2ccccc2NC1c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-2-23-17(22)12-16(21)20-15-11-7-6-10-14(15)19-18(20)13-8-4-3-5-9-13/h3-11,16,18-19,21H,2,12H2,1H3
InChIKeyZQNUNNRTKKLXFU-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.89
Rot. Bonds5

About ethyl 3-hydroxy-3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)propanoate

ethyl 3-hydroxy-3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)propanoate (PubChem CID 57218693) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 3-hydroxy-3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)propanoate
PubChem CID57218693
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nameethyl 3-hydroxy-3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)propanoate
SMILESCCOC(=O)CC(O)N1c2ccccc2NC1c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-2-23-17(22)12-16(21)20-15-11-7-6-10-14(15)19-18(20)13-8-4-3-5-9-13/h3-11,16,18-19,21H,2,12H2,1H3
InChIKeyZQNUNNRTKKLXFU-UHFFFAOYSA-N
XLogP2.89
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-benzyl-4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 16726358
CID 139239255
CID 139239255
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate
CID 9526681
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate
CID 29727694
Ethyl 3-[5-fluoro-3-(4-methylphenyl)-2-oxobenzimidazol-1-yl]propanoate
CID 122212841
Ethyl 4-(3-benzyl-2-oxobenzimidazol-1-yl)butanoate
CID 13309393
1-[3-(1-hydroxypropyl)-2-(2-phenylethyl)-2H-benzimidazol-1-yl]propan-1-ol
CID 22464959
Ethyl 3-(2-benzyl-2,3-dihydrobenzimidazol-1-yl)-3-hydroxypropanoate
CID 56976100
Ethyl 3-oxo-3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)propanoate
CID 56998180
Ethyl 3-(2-benzyl-2,3-dihydrobenzimidazol-1-yl)-3-oxopropanoate
CID 57015702
tert-butyl 3-[2-aminoethyl-(1-benzyl-2-oxo-3H-benzimidazol-4-yl)amino]propanoate
CID 57835011
ethyl 3-(7-methyl-2-oxo-3H-benzimidazol-1-yl)propanoate
CID 59497641

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)propanoate?
The IUPAC name of ethyl 3-hydroxy-3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)propanoate (CID 57218693) is ethyl 3-hydroxy-3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)propanoate.
What is the SMILES notation for ethyl 3-hydroxy-3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)propanoate?
The canonical SMILES for ethyl 3-hydroxy-3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)propanoate is CCOC(=O)CC(O)N1c2ccccc2NC1c1ccccc1.
What is the InChIKey of ethyl 3-hydroxy-3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)propanoate?
The InChIKey is ZQNUNNRTKKLXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-23-17(22)12-16(21)20-15-11-7-6-10-14(15)19-18(20)13-8-4-3-5-9-13/h3-11,16,18-19,21H,2,12H2,1H3.
What are the key properties of ethyl 3-hydroxy-3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)propanoate?
ethyl 3-hydroxy-3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)propanoate has a molecular weight of 312.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)propanoate is sourced from PubChem (CID 57218693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).