formaldehyde;4-[5-(methylamino)-2-(2-phenylethyl)-1-piperidin-4-ylbenzimidazol-4-yl]butan-2-ol

C26H36N4O2 — CID 142545843

IUPACformaldehyde;4-[5-(methylamino)-2-(2-phenylethyl)-1-piperidin-4-ylbenzimidazol-4-yl]butan-2-ol
SMILESC=O.CNc1ccc2c(nc(CCc3ccccc3)n2C2CCNCC2)c1CCC(C)O
InChIInChI=1S/C25H34N4O.CH2O/c1-18(30)8-10-21-22(26-2)11-12-23-25(21)28-24(13-9-19-6-4-3-5-7-19)29(23)20-14-16-27-17-15-20;1-2/h3-7,11-12,18,20,26-27,30H,8-10,13-17H2,1-2H3;1H2
InChIKeyZTFRUIFSUXSWML-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.92
Rot. Bonds8

About formaldehyde;4-[5-(methylamino)-2-(2-phenylethyl)-1-piperidin-4-ylbenzimidazol-4-yl]butan-2-ol

formaldehyde;4-[5-(methylamino)-2-(2-phenylethyl)-1-piperidin-4-ylbenzimidazol-4-yl]butan-2-ol (PubChem CID 142545843) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is formaldehyde;4-[5-(methylamino)-2-(2-phenylethyl)-1-piperidin-4-ylbenzimidazol-4-yl]butan-2-ol.

Molecular Properties

Compound Nameformaldehyde;4-[5-(methylamino)-2-(2-phenylethyl)-1-piperidin-4-ylbenzimidazol-4-yl]butan-2-ol
PubChem CID142545843
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Nameformaldehyde;4-[5-(methylamino)-2-(2-phenylethyl)-1-piperidin-4-ylbenzimidazol-4-yl]butan-2-ol
SMILESC=O.CNc1ccc2c(nc(CCc3ccccc3)n2C2CCNCC2)c1CCC(C)O
InChIInChI=1S/C25H34N4O.CH2O/c1-18(30)8-10-21-22(26-2)11-12-23-25(21)28-24(13-9-19-6-4-3-5-7-19)29(23)20-14-16-27-17-15-20;1-2/h3-7,11-12,18,20,26-27,30H,8-10,13-17H2,1-2H3;1H2
InChIKeyZTFRUIFSUXSWML-UHFFFAOYSA-N
XLogP3.92
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(2-azaspiro[3.5]nonan-7-yl)-2-benzyl-5-(methylamino)benzimidazol-4-yl]butan-2-ol;formaldehyde
CID 142546325
2-(3-chlorophenyl)-3-[1-cyclohexyl-4-(3-hydroxybutyl)-5-(methylamino)benzimidazol-2-yl]propanoic acid
CID 142546016
formaldehyde;4-[5-hydroxy-2-[hydroxy(phenyl)methyl]-4-[3-(methylamino)butyl]benzimidazol-1-yl]cyclohexane-1-carbaldehyde;methanol
CID 142545601
[(7S)-2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-methoxymethanol
CID 167089800
2-benzyl-1-cyclohexyl-4-[3-(methylamino)propyl]benzimidazol-5-ol
CID 142545693
1-piperidin-4-yl-2-propylbenzimidazole
CID 82063740
2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
CID 174211915
formaldehyde;N-(4-formylcyclohexyl)-N-[3-(3-hydroxybutyl)-4-(methylamino)phenyl]-N'-methyl-2-phenylethanimidamide;methanol
CID 142545965
(7S)-3-(4-carbamoylcyclohexyl)-7-methyl-2-(2-phenylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
CID 174208051
1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one
CID 154396127
[3-[(7S)-2-benzyl-7-methyl-6,7,8,9-tetrahydroimidazo[4,5-f]quinolin-3-yl]cyclobutyl]methanediol
CID 142546108
(E)-3-[1-(4-benzylcyclohexyl)-2-(2-phenylethyl)benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 58816189

Frequently Asked Questions

What is the IUPAC name of formaldehyde;4-[5-(methylamino)-2-(2-phenylethyl)-1-piperidin-4-ylbenzimidazol-4-yl]butan-2-ol?
The IUPAC name of formaldehyde;4-[5-(methylamino)-2-(2-phenylethyl)-1-piperidin-4-ylbenzimidazol-4-yl]butan-2-ol (CID 142545843) is formaldehyde;4-[5-(methylamino)-2-(2-phenylethyl)-1-piperidin-4-ylbenzimidazol-4-yl]butan-2-ol.
What is the SMILES notation for formaldehyde;4-[5-(methylamino)-2-(2-phenylethyl)-1-piperidin-4-ylbenzimidazol-4-yl]butan-2-ol?
The canonical SMILES for formaldehyde;4-[5-(methylamino)-2-(2-phenylethyl)-1-piperidin-4-ylbenzimidazol-4-yl]butan-2-ol is C=O.CNc1ccc2c(nc(CCc3ccccc3)n2C2CCNCC2)c1CCC(C)O.
What is the InChIKey of formaldehyde;4-[5-(methylamino)-2-(2-phenylethyl)-1-piperidin-4-ylbenzimidazol-4-yl]butan-2-ol?
The InChIKey is ZTFRUIFSUXSWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O.CH2O/c1-18(30)8-10-21-22(26-2)11-12-23-25(21)28-24(13-9-19-6-4-3-5-7-19)29(23)20-14-16-27-17-15-20;1-2/h3-7,11-12,18,20,26-27,30H,8-10,13-17H2,1-2H3;1H2.
What are the key properties of formaldehyde;4-[5-(methylamino)-2-(2-phenylethyl)-1-piperidin-4-ylbenzimidazol-4-yl]butan-2-ol?
formaldehyde;4-[5-(methylamino)-2-(2-phenylethyl)-1-piperidin-4-ylbenzimidazol-4-yl]butan-2-ol has a molecular weight of 436.60 g/mol, XLogP of 3.92, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;4-[5-(methylamino)-2-(2-phenylethyl)-1-piperidin-4-ylbenzimidazol-4-yl]butan-2-ol is sourced from PubChem (CID 142545843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).