propyl 4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]benzoate

C21H24N2O4 — CID 3155818

IUPACpropyl 4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(O)Cn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C21H24N2O4/c1-3-12-26-21(25)16-8-10-18(11-9-16)27-14-17(24)13-23-15(2)22-19-6-4-5-7-20(19)23/h4-11,17,24H,3,12-14H2,1-2H3
InChIKeyQNZOTDNRZPLCGQ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.35
Rot. Bonds8

About propyl 4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]benzoate

propyl 4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]benzoate (PubChem CID 3155818) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is propyl 4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]benzoate.

Molecular Properties

Compound Namepropyl 4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]benzoate
PubChem CID3155818
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namepropyl 4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(O)Cn2c(C)nc3ccccc32)cc1
InChIInChI=1S/C21H24N2O4/c1-3-12-26-21(25)16-8-10-18(11-9-16)27-14-17(24)13-23-15(2)22-19-6-4-5-7-20(19)23/h4-11,17,24H,3,12-14H2,1-2H3
InChIKeyQNZOTDNRZPLCGQ-UHFFFAOYSA-N
XLogP3.35
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]benzoate?
The IUPAC name of propyl 4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]benzoate (CID 3155818) is propyl 4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]benzoate.
What is the SMILES notation for propyl 4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]benzoate?
The canonical SMILES for propyl 4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]benzoate is CCCOC(=O)c1ccc(OCC(O)Cn2c(C)nc3ccccc32)cc1.
What is the InChIKey of propyl 4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]benzoate?
The InChIKey is QNZOTDNRZPLCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-12-26-21(25)16-8-10-18(11-9-16)27-14-17(24)13-23-15(2)22-19-6-4-5-7-20(19)23/h4-11,17,24H,3,12-14H2,1-2H3.
What are the key properties of propyl 4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]benzoate?
propyl 4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]benzoate has a molecular weight of 368.43 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]benzoate is sourced from PubChem (CID 3155818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).