methyl 4-[2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate

C21H24N2O4 — CID 3155823

IUPACmethyl 4-[2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate
SMILESCCCc1nc2ccccc2n1CC(O)COc1ccc(C(=O)OC)cc1
InChIInChI=1S/C21H24N2O4/c1-3-6-20-22-18-7-4-5-8-19(18)23(20)13-16(24)14-27-17-11-9-15(10-12-17)21(25)26-2/h4-5,7-12,16,24H,3,6,13-14H2,1-2H3
InChIKeySDMPIHMYTJZRLX-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.22
Rot. Bonds8

About methyl 4-[2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate

methyl 4-[2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate (PubChem CID 3155823) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is methyl 4-[2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate
PubChem CID3155823
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namemethyl 4-[2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate
SMILESCCCc1nc2ccccc2n1CC(O)COc1ccc(C(=O)OC)cc1
InChIInChI=1S/C21H24N2O4/c1-3-6-20-22-18-7-4-5-8-19(18)23(20)13-16(24)14-27-17-11-9-15(10-12-17)21(25)26-2/h4-5,7-12,16,24H,3,6,13-14H2,1-2H3
InChIKeySDMPIHMYTJZRLX-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate 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

3570-0208 [Pmid:19807662]
CID 3092570
KW-3635
CID 23673318
Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl
CID 25957
4-((Imidazo(1,2-a)pyridin-2-yl)methoxy)benzoic acid
CID 1278630
4-{(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexylethoxy}-3-Fluorobenzoic Acid
CID 126962415
4-{(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexylethoxy}benzoic Acid
CID 126962416
1-{4-[2-(1H-benzimidazol-1-yl)ethoxy]phenyl}-1-propanone hydrochloride
CID 2965954
2-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethan-1-one
CID 4962804
1-{4-[2-(1H-benzimidazol-1-yl)ethoxy]phenyl}ethanone
CID 583208
(1-Isopropyl-1H-benzimidazol-2-yl)(4-methoxyphenyl)methanol
CID 590962
(4-Methoxyphenyl)(1-propyl-1H-benzimidazol-2-yl)methanol
CID 626543
(4-Ethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 628205

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate?
The IUPAC name of methyl 4-[2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate (CID 3155823) is methyl 4-[2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate.
What is the SMILES notation for methyl 4-[2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate?
The canonical SMILES for methyl 4-[2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate is CCCc1nc2ccccc2n1CC(O)COc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate?
The InChIKey is SDMPIHMYTJZRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-6-20-22-18-7-4-5-8-19(18)23(20)13-16(24)14-27-17-11-9-15(10-12-17)21(25)26-2/h4-5,7-12,16,24H,3,6,13-14H2,1-2H3.
What are the key properties of methyl 4-[2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate?
methyl 4-[2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate has a molecular weight of 368.43 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-hydroxy-3-(2-propylbenzimidazol-1-yl)propoxy]benzoate is sourced from PubChem (CID 3155823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).