(1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol

C18H19N3O — CID 124756300

IUPAC(1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol
SMILESO[C@H](CN1CC(c2nc3ccccc3[nH]2)C1)c1ccccc1
InChIInChI=1S/C18H19N3O/c22-17(13-6-2-1-3-7-13)12-21-10-14(11-21)18-19-15-8-4-5-9-16(15)20-18/h1-9,14,17,22H,10-12H2,(H,19,20)/t17-/m1/s1
InChIKeySJNDACPAOINFBQ-QGZVFWFLSA-N
MW293.37 g/mol
LogP2.70
Rot. Bonds4

About (1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol

(1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol (PubChem CID 124756300) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is (1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol
PubChem CID124756300
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name(1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol
SMILESO[C@H](CN1CC(c2nc3ccccc3[nH]2)C1)c1ccccc1
InChIInChI=1S/C18H19N3O/c22-17(13-6-2-1-3-7-13)12-21-10-14(11-21)18-19-15-8-4-5-9-16(15)20-18/h1-9,14,17,22H,10-12H2,(H,19,20)/t17-/m1/s1
InChIKeySJNDACPAOINFBQ-QGZVFWFLSA-N
XLogP2.70
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
CID 66763355
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole
CID 10087324
2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole
CID 166392326
2-(1-pent-4-ynylazetidin-3-yl)-1H-benzimidazole
CID 148699034
4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 116985498
(2R)-2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylacetamide
CID 95315033
2-[1-(benzenesulfonyl)azetidin-3-yl]-1H-benzimidazole
CID 90505852
4-[[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75131931
3-[4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 77083335
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
CID 111112410
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol
CID 103936768

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol?
The IUPAC name of (1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol (CID 124756300) is (1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol is O[C@H](CN1CC(c2nc3ccccc3[nH]2)C1)c1ccccc1.
What is the InChIKey of (1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol?
The InChIKey is SJNDACPAOINFBQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19N3O/c22-17(13-6-2-1-3-7-13)12-21-10-14(11-21)18-19-15-8-4-5-9-16(15)20-18/h1-9,14,17,22H,10-12H2,(H,19,20)/t17-/m1/s1.
What are the key properties of (1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol?
(1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol has a molecular weight of 293.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 124756300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).