(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol

C12H16N2O — CID 51975802

IUPAC(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
SMILESCCc1nc2ccccc2n1C[C@H](C)O
InChIInChI=1S/C12H16N2O/c1-3-12-13-10-6-4-5-7-11(10)14(12)8-9(2)15/h4-7,9,15H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyLWFRHOKDOBOUJN-VIFPVBQESA-N
MW204.27 g/mol
LogP1.98
Rot. Bonds3

About (2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol

(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol (PubChem CID 51975802) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
PubChem CID51975802
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
SMILESCCc1nc2ccccc2n1C[C@H](C)O
InChIInChI=1S/C12H16N2O/c1-3-12-13-10-6-4-5-7-11(10)14(12)8-9(2)15/h4-7,9,15H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyLWFRHOKDOBOUJN-VIFPVBQESA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2S)-2-hydroxypropyl]benzimidazol-2-yl]acetonitrile
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2-(2-ethylbenzimidazol-1-yl)-1-(2-methylphenyl)ethanol
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1-[2-(bromomethyl)-3-methylbutyl]-2-ethylbenzimidazole
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(2R)-1-(2-methylsulfanylbenzimidazol-1-yl)propan-2-ol
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(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 766470
1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol
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1-(2-ethylbenzimidazol-1-yl)-N,3,3-trimethylbutan-2-amine
CID 63104680
1-(3-bromo-2-phenylpropyl)-2-ethylbenzimidazole
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(2S)-1-(2,6-dimethylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 40532798
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CID 3144476

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol (CID 51975802) is (2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol is CCc1nc2ccccc2n1C[C@H](C)O.
What is the InChIKey of (2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is LWFRHOKDOBOUJN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-12-13-10-6-4-5-7-11(10)14(12)8-9(2)15/h4-7,9,15H,3,8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol?
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 204.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 51975802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).