[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone

C17H15N3O2 — CID 155947898

IUPAC[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)N1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C17H15N3O2/c21-13-5-3-4-11(8-13)17(22)20-9-12(10-20)16-18-14-6-1-2-7-15(14)19-16/h1-8,12,21H,9-10H2,(H,18,19)
InChIKeyFUTBZSVFSDOISV-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.51
Rot. Bonds2

About [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone

[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone (PubChem CID 155947898) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone
PubChem CID155947898
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone
SMILESO=C(c1cccc(O)c1)N1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C17H15N3O2/c21-13-5-3-4-11(8-13)17(22)20-9-12(10-20)16-18-14-6-1-2-7-15(14)19-16/h1-8,12,21H,9-10H2,(H,18,19)
InChIKeyFUTBZSVFSDOISV-UHFFFAOYSA-N
XLogP2.51
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 90505803
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-tert-butylphenyl)methanone
CID 90505686
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone
CID 90505704
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-bromophenyl)methanone
CID 90505707
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-nitrophenyl)methanone
CID 42932421
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
4-[3-(1H-benzimidazol-2-yl)azetidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 90505752
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1-tert-butylpyrrol-3-yl)methanone
CID 90651979
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90505755
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone
CID 46852471

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone (CID 155947898) is [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone is O=C(c1cccc(O)c1)N1CC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone?
The InChIKey is FUTBZSVFSDOISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-13-5-3-4-11(8-13)17(22)20-9-12(10-20)16-18-14-6-1-2-7-15(14)19-16/h1-8,12,21H,9-10H2,(H,18,19).
What are the key properties of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone?
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone has a molecular weight of 293.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 155947898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).