1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol

C15H21N3O3 — CID 12515389

IUPAC1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESOCc1nc2ccccc2n1CC(O)CN1CCOCC1
InChIInChI=1S/C15H21N3O3/c19-11-15-16-13-3-1-2-4-14(13)18(15)10-12(20)9-17-5-7-21-8-6-17/h1-4,12,19-20H,5-11H2
InChIKeyFKMDAHVKLLDGBV-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.22
Rot. Bonds5

About 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol

1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 12515389) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol
PubChem CID12515389
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol
SMILESOCc1nc2ccccc2n1CC(O)CN1CCOCC1
InChIInChI=1S/C15H21N3O3/c19-11-15-16-13-3-1-2-4-14(13)18(15)10-12(20)9-17-5-7-21-8-6-17/h1-4,12,19-20H,5-11H2
InChIKeyFKMDAHVKLLDGBV-UHFFFAOYSA-N
XLogP0.22
TPSA70.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol
CID 110879081
(1R)-1-[4-[2-(hydroxymethyl)benzimidazol-1-yl]phenyl]-2-morpholin-4-ylethanol
CID 95129628
(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol
CID 1248606
1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 65449453
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17479592
4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine
CID 43348277
4-[2-[2-[(2S)-2-(4-methylpiperazin-1-yl)propyl]benzimidazol-1-yl]ethyl]morpholine
CID 164835741
(1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 94379793
2-(2-morpholin-4-ylbenzimidazol-1-yl)ethanol
CID 46784646
(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 1317864
(2R)-1-(4-tert-butylphenoxy)-3-[2-(hydroxymethyl)benzimidazol-1-yl]propan-2-ol
CID 40637460
4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine
CID 16805688

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol (CID 12515389) is 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol is OCc1nc2ccccc2n1CC(O)CN1CCOCC1.
What is the InChIKey of 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is FKMDAHVKLLDGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-11-15-16-13-3-1-2-4-14(13)18(15)10-12(20)9-17-5-7-21-8-6-17/h1-4,12,19-20H,5-11H2.
What are the key properties of 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol?
1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 291.35 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 12515389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).