ethyl 3-(2-benzyl-2,3-dihydrobenzimidazol-1-yl)-3-hydroxypropanoate

C19H22N2O3 — CID 56976100

IUPACethyl 3-(2-benzyl-2,3-dihydrobenzimidazol-1-yl)-3-hydroxypropanoate
SMILESCCOC(=O)CC(O)N1c2ccccc2NC1Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-2-24-19(23)13-18(22)21-16-11-7-6-10-15(16)20-17(21)12-14-8-4-3-5-9-14/h3-11,17-18,20,22H,2,12-13H2,1H3
InChIKeyFFRMRXSMFHDZQP-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.76
Rot. Bonds6

About ethyl 3-(2-benzyl-2,3-dihydrobenzimidazol-1-yl)-3-hydroxypropanoate

ethyl 3-(2-benzyl-2,3-dihydrobenzimidazol-1-yl)-3-hydroxypropanoate (PubChem CID 56976100) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is ethyl 3-(2-benzyl-2,3-dihydrobenzimidazol-1-yl)-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-(2-benzyl-2,3-dihydrobenzimidazol-1-yl)-3-hydroxypropanoate
PubChem CID56976100
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Nameethyl 3-(2-benzyl-2,3-dihydrobenzimidazol-1-yl)-3-hydroxypropanoate
SMILESCCOC(=O)CC(O)N1c2ccccc2NC1Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-2-24-19(23)13-18(22)21-16-11-7-6-10-15(16)20-17(21)12-14-8-4-3-5-9-14/h3-11,17-18,20,22H,2,12-13H2,1H3
InChIKeyFFRMRXSMFHDZQP-UHFFFAOYSA-N
XLogP2.76
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(2-benzyl-2,3-dihydrobenzimidazol-1-yl)-3-hydroxypropanoate 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

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
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide
CID 17527207
1-[3-(1-hydroxypropyl)-2-(2-phenylethyl)-2H-benzimidazol-1-yl]propan-1-ol
CID 22464959
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
Ethyl 3-hydroxy-3-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)propanoate
CID 57218693
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
2-[3-Hydroxy-2-(4-methylphenyl)-3a,4-dihydroimidazo[1,2-a]benzimidazol-1-yl]acetic acid
CID 67847693
2-(1-Phenyl-1,3-diazaspiro[4.5]decan-2-yl)acetic acid
CID 68630953

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-benzyl-2,3-dihydrobenzimidazol-1-yl)-3-hydroxypropanoate?
The IUPAC name of ethyl 3-(2-benzyl-2,3-dihydrobenzimidazol-1-yl)-3-hydroxypropanoate (CID 56976100) is ethyl 3-(2-benzyl-2,3-dihydrobenzimidazol-1-yl)-3-hydroxypropanoate.
What is the SMILES notation for ethyl 3-(2-benzyl-2,3-dihydrobenzimidazol-1-yl)-3-hydroxypropanoate?
The canonical SMILES for ethyl 3-(2-benzyl-2,3-dihydrobenzimidazol-1-yl)-3-hydroxypropanoate is CCOC(=O)CC(O)N1c2ccccc2NC1Cc1ccccc1.
What is the InChIKey of ethyl 3-(2-benzyl-2,3-dihydrobenzimidazol-1-yl)-3-hydroxypropanoate?
The InChIKey is FFRMRXSMFHDZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-24-19(23)13-18(22)21-16-11-7-6-10-15(16)20-17(21)12-14-8-4-3-5-9-14/h3-11,17-18,20,22H,2,12-13H2,1H3.
What are the key properties of ethyl 3-(2-benzyl-2,3-dihydrobenzimidazol-1-yl)-3-hydroxypropanoate?
ethyl 3-(2-benzyl-2,3-dihydrobenzimidazol-1-yl)-3-hydroxypropanoate has a molecular weight of 326.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-benzyl-2,3-dihydrobenzimidazol-1-yl)-3-hydroxypropanoate is sourced from PubChem (CID 56976100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).