(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol

C21H24N2O3 — CID 25324147

IUPAC(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
SMILESOCc1nc2ccccc2n1C[C@H](O)CO[C@@H]1CCCc2ccccc21
InChIInChI=1S/C21H24N2O3/c24-13-21-22-18-9-3-4-10-19(18)23(21)12-16(25)14-26-20-11-5-7-15-6-1-2-8-17(15)20/h1-4,6,8-10,16,20,24-25H,5,7,11-14H2/t16-,20+/m0/s1
InChIKeyHSWIKLDOLXZQTR-OXJNMPFZSA-N
MW352.43 g/mol
LogP2.98
Rot. Bonds6

About (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol

(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol (PubChem CID 25324147) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
PubChem CID25324147
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
SMILESOCc1nc2ccccc2n1C[C@H](O)CO[C@@H]1CCCc2ccccc21
InChIInChI=1S/C21H24N2O3/c24-13-21-22-18-9-3-4-10-19(18)23(21)12-16(25)14-26-20-11-5-7-15-6-1-2-8-17(15)20/h1-4,6,8-10,16,20,24-25H,5,7,11-14H2/t16-,20+/m0/s1
InChIKeyHSWIKLDOLXZQTR-OXJNMPFZSA-N
XLogP2.98
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 25324144
(2R)-1-[2-(2-aminoethyl)benzimidazol-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 134597128
(2R)-1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 97157254
(2S)-1-(4-methylpiperazin-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 2121484
1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110887836
1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 75432626
1-[(2R)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-1,2,4-triazole-3-carbonitrile
CID 97243294
(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
(2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 95348112
3-[(2R)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 26012304
(2S)-1-(4-pyrrol-1-ylpyrazol-1-yl)-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 99696620

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
The IUPAC name of (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol (CID 25324147) is (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol.
What is the SMILES notation for (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
The canonical SMILES for (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol is OCc1nc2ccccc2n1C[C@H](O)CO[C@@H]1CCCc2ccccc21.
What is the InChIKey of (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
The InChIKey is HSWIKLDOLXZQTR-OXJNMPFZSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-13-21-22-18-9-3-4-10-19(18)23(21)12-16(25)14-26-20-11-5-7-15-6-1-2-8-17(15)20/h1-4,6,8-10,16,20,24-25H,5,7,11-14H2/t16-,20+/m0/s1.
What are the key properties of (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol?
(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol has a molecular weight of 352.43 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol is sourced from PubChem (CID 25324147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).