1-(benzimidazol-1-yl)-3-(2-methylquinolin-4-yl)oxypropan-2-ol

C20H19N3O2 — CID 10472007

IUPAC1-(benzimidazol-1-yl)-3-(2-methylquinolin-4-yl)oxypropan-2-ol
SMILESCc1cc(OCC(O)Cn2cnc3ccccc32)c2ccccc2n1
InChIInChI=1S/C20H19N3O2/c1-14-10-20(16-6-2-3-7-17(16)22-14)25-12-15(24)11-23-13-21-18-8-4-5-9-19(18)23/h2-10,13,15,24H,11-12H2,1H3
InChIKeyZGKOYSAHAXUSDH-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.33
Rot. Bonds5

About 1-(benzimidazol-1-yl)-3-(2-methylquinolin-4-yl)oxypropan-2-ol

1-(benzimidazol-1-yl)-3-(2-methylquinolin-4-yl)oxypropan-2-ol (PubChem CID 10472007) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-(2-methylquinolin-4-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-(2-methylquinolin-4-yl)oxypropan-2-ol
PubChem CID10472007
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-(benzimidazol-1-yl)-3-(2-methylquinolin-4-yl)oxypropan-2-ol
SMILESCc1cc(OCC(O)Cn2cnc3ccccc32)c2ccccc2n1
InChIInChI=1S/C20H19N3O2/c1-14-10-20(16-6-2-3-7-17(16)22-14)25-12-15(24)11-23-13-21-18-8-4-5-9-19(18)23/h2-10,13,15,24H,11-12H2,1H3
InChIKeyZGKOYSAHAXUSDH-UHFFFAOYSA-N
XLogP3.33
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 819220
(2S)-1-(benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 879495
1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol
CID 62269353
methyl 3-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]naphthalene-2-carboxylate
CID 23736459
1-(benzimidazol-1-yl)-3-(4-iodophenoxy)propan-2-ol
CID 583226
(2R)-1-(benzimidazol-1-yl)-3-(4-iodophenoxy)propan-2-ol
CID 1120288
1-(benzimidazol-1-yl)butan-2-ol
CID 53276318
(2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol
CID 800546
3-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]benzoic acid
CID 3130415
1-(4-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol;dihydrochloride
CID 46736435
(2S)-1-(benzimidazol-1-yl)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
CID 51545092
2-[(2S)-3-(benzimidazol-1-yl)-2-hydroxypropoxy]anthracene-9,10-dione
CID 7182495

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-(2-methylquinolin-4-yl)oxypropan-2-ol?
The IUPAC name of 1-(benzimidazol-1-yl)-3-(2-methylquinolin-4-yl)oxypropan-2-ol (CID 10472007) is 1-(benzimidazol-1-yl)-3-(2-methylquinolin-4-yl)oxypropan-2-ol.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-(2-methylquinolin-4-yl)oxypropan-2-ol?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-(2-methylquinolin-4-yl)oxypropan-2-ol is Cc1cc(OCC(O)Cn2cnc3ccccc32)c2ccccc2n1.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-(2-methylquinolin-4-yl)oxypropan-2-ol?
The InChIKey is ZGKOYSAHAXUSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-10-20(16-6-2-3-7-17(16)22-14)25-12-15(24)11-23-13-21-18-8-4-5-9-19(18)23/h2-10,13,15,24H,11-12H2,1H3.
What are the key properties of 1-(benzimidazol-1-yl)-3-(2-methylquinolin-4-yl)oxypropan-2-ol?
1-(benzimidazol-1-yl)-3-(2-methylquinolin-4-yl)oxypropan-2-ol has a molecular weight of 333.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-(2-methylquinolin-4-yl)oxypropan-2-ol is sourced from PubChem (CID 10472007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).