1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol

C16H24N4O — CID 65449453

IUPAC1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol
SMILESCCc1nc2ccccc2n1CC(O)CN1CCNCC1
InChIInChI=1S/C16H24N4O/c1-2-16-18-14-5-3-4-6-15(14)20(16)12-13(21)11-19-9-7-17-8-10-19/h3-6,13,17,21H,2,7-12H2,1H3
InChIKeyJICCFJVOVIYEOB-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.86
Rot. Bonds5

About 1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol

1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol (PubChem CID 65449453) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol
PubChem CID65449453
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol
SMILESCCc1nc2ccccc2n1CC(O)CN1CCNCC1
InChIInChI=1S/C16H24N4O/c1-2-16-18-14-5-3-4-6-15(14)20(16)12-13(21)11-19-9-7-17-8-10-19/h3-6,13,17,21H,2,7-12H2,1H3
InChIKeyJICCFJVOVIYEOB-UHFFFAOYSA-N
XLogP0.86
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol
CID 110879081
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 12515389
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 57210584
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 34363876
3-(2-ethylbenzimidazol-1-yl)-1,1,1-trifluoropropan-2-ol
CID 63902276
(2S)-1-(2,6-dimethylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 40532798
1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 3144476
(2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 27408227
1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol (CID 65449453) is 1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol is CCc1nc2ccccc2n1CC(O)CN1CCNCC1.
What is the InChIKey of 1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol?
The InChIKey is JICCFJVOVIYEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-16-18-14-5-3-4-6-15(14)20(16)12-13(21)11-19-9-7-17-8-10-19/h3-6,13,17,21H,2,7-12H2,1H3.
What are the key properties of 1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol?
1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol has a molecular weight of 288.39 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 65449453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).