[1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone

C17H16N2O3 — CID 3059108

IUPAC[1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nc2ccccc2n1CC(O)CO
InChIInChI=1S/C17H16N2O3/c20-11-13(21)10-19-15-9-5-4-8-14(15)18-17(19)16(22)12-6-2-1-3-7-12/h1-9,13,20-21H,10-11H2
InChIKeyUZTKCNNXSNTHNQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.62
Rot. Bonds5

About [1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone

[1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone (PubChem CID 3059108) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is [1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone
PubChem CID3059108
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name[1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nc2ccccc2n1CC(O)CO
InChIInChI=1S/C17H16N2O3/c20-11-13(21)10-19-15-9-5-4-8-14(15)18-17(19)16(22)12-6-2-1-3-7-12/h1-9,13,20-21H,10-11H2
InChIKeyUZTKCNNXSNTHNQ-UHFFFAOYSA-N
XLogP1.62
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethylbenzimidazol-2-yl)-phenylmethanone
CID 67579558
2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone
CID 51032263
3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol
CID 45144782
bis(1-ethylbenzimidazol-2-yl)methanone
CID 22887473
3-[2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazol-1-yl]propane-1,2-diol
CID 13162294
3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propane-1,2-diol
CID 2772502
3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol
CID 45144760
3-[2-(4-tert-butylphenyl)benzimidazol-1-yl]propane-1,2-diol
CID 84571502
1-[1-(2-hydroxyethyl)benzimidazol-2-yl]ethanone
CID 12515570
1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2861179
(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol
CID 1248606
1-(1-ethylbenzimidazol-2-yl)ethanone
CID 5149999

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone?
The IUPAC name of [1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone (CID 3059108) is [1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone.
What is the SMILES notation for [1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone?
The canonical SMILES for [1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone is O=C(c1ccccc1)c1nc2ccccc2n1CC(O)CO.
What is the InChIKey of [1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone?
The InChIKey is UZTKCNNXSNTHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-11-13(21)10-19-15-9-5-4-8-14(15)18-17(19)16(22)12-6-2-1-3-7-12/h1-9,13,20-21H,10-11H2.
What are the key properties of [1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone?
[1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone has a molecular weight of 296.33 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone is sourced from PubChem (CID 3059108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).