1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one

C22H22N2O3 — CID 52566005

IUPAC1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one
SMILESCCn1c(=O)n(C[C@@H](O)COc2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C22H22N2O3/c1-2-23-19-11-5-6-12-20(19)24(22(23)26)14-17(25)15-27-21-13-7-9-16-8-3-4-10-18(16)21/h3-13,17,25H,2,14-15H2,1H3/t17-/m1/s1
InChIKeyLCPZKBVQULLRMZ-QGZVFWFLSA-N
MW362.43 g/mol
LogP3.42
Rot. Bonds6

About 1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one

1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one (PubChem CID 52566005) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one
PubChem CID52566005
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one
SMILESCCn1c(=O)n(C[C@@H](O)COc2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C22H22N2O3/c1-2-23-19-11-5-6-12-20(19)24(22(23)26)14-17(25)15-27-21-13-7-9-16-8-3-4-10-18(16)21/h3-13,17,25H,2,14-15H2,1H3/t17-/m1/s1
InChIKeyLCPZKBVQULLRMZ-QGZVFWFLSA-N
XLogP3.42
TPSA56.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one
CID 53276332
1-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-3-ethylbenzimidazol-2-one
CID 52566018
(2R)-1-(3-methyl-2-propylbenzimidazol-3-ium-1-yl)-3-naphthalen-1-yloxypropan-2-ol
CID 991935
3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,3-thiazolidine-2,4-dione
CID 2309613
(2R)-1-(3-methylbenzimidazol-3-ium-1-yl)-3-naphthalen-1-yloxypropan-2-ol
CID 40503008
1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol
CID 2884521
ethyl 4-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]piperazine-1-carboxylate
CID 27646446
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
3-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,2,3-benzotriazin-4-one
CID 17469213
1-naphthalen-1-yloxyundecan-2-ol
CID 2793899
1-(2-aminobutyl)-3-ethylbenzimidazol-2-one
CID 82168070
1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 42947275

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one (CID 52566005) is 1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one is CCn1c(=O)n(C[C@@H](O)COc2cccc3ccccc23)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one?
The InChIKey is LCPZKBVQULLRMZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-2-23-19-11-5-6-12-20(19)24(22(23)26)14-17(25)15-27-21-13-7-9-16-8-3-4-10-18(16)21/h3-13,17,25H,2,14-15H2,1H3/t17-/m1/s1.
What are the key properties of 1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one?
1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one has a molecular weight of 362.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-one is sourced from PubChem (CID 52566005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).