1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine

C22H28N4O — CID 1043068

IUPAC1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine
SMILES[H]/N=c1\n(CCOc2ccccc2)c2ccccc2n1CCN1CCCCC1
InChIInChI=1S/C22H28N4O/c23-22-25(16-15-24-13-7-2-8-14-24)20-11-5-6-12-21(20)26(22)17-18-27-19-9-3-1-4-10-19/h1,3-6,9-12,23H,2,7-8,13-18H2/b23-22-
InChIKeyLXXHJSPSMPODIJ-FCQUAONHSA-N
MW364.49 g/mol
LogP3.49
Rot. Bonds7

About 1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine

1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine (PubChem CID 1043068) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine
PubChem CID1043068
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine
SMILES[H]/N=c1\n(CCOc2ccccc2)c2ccccc2n1CCN1CCCCC1
InChIInChI=1S/C22H28N4O/c23-22-25(16-15-24-13-7-2-8-14-24)20-11-5-6-12-21(20)26(22)17-18-27-19-9-3-1-4-10-19/h1,3-6,9-12,23H,2,7-8,13-18H2/b23-22-
InChIKeyLXXHJSPSMPODIJ-FCQUAONHSA-N
XLogP3.49
TPSA46.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 762258
1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine
CID 1259026
1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride
CID 163325463
2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol
CID 2868077
1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 1112929
(2S)-1-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-3-phenoxypropan-2-ol
CID 1118371
1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone
CID 72549860
1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3356244
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3778765
1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 2952649
1-benzyl-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-imine
CID 1050683

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine?
The IUPAC name of 1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine (CID 1043068) is 1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine.
What is the SMILES notation for 1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine?
The canonical SMILES for 1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine is [H]/N=c1\n(CCOc2ccccc2)c2ccccc2n1CCN1CCCCC1.
What is the InChIKey of 1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine?
The InChIKey is LXXHJSPSMPODIJ-FCQUAONHSA-N. The full InChI is InChI=1S/C22H28N4O/c23-22-25(16-15-24-13-7-2-8-14-24)20-11-5-6-12-21(20)26(22)17-18-27-19-9-3-1-4-10-19/h1,3-6,9-12,23H,2,7-8,13-18H2/b23-22-.
What are the key properties of 1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine?
1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine has a molecular weight of 364.49 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine is sourced from PubChem (CID 1043068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).