1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol

C15H22N4O — CID 62594160

IUPAC1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(N)ccc2n1C1CCCN(C)C1
InChIInChI=1S/C15H22N4O/c1-10(20)15-17-13-8-11(16)5-6-14(13)19(15)12-4-3-7-18(2)9-12/h5-6,8,10,12,20H,3-4,7,9,16H2,1-2H3
InChIKeyLBJSHPJFRWOXDX-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.94
Rot. Bonds2

About 1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol

1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol (PubChem CID 62594160) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol
PubChem CID62594160
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(N)ccc2n1C1CCCN(C)C1
InChIInChI=1S/C15H22N4O/c1-10(20)15-17-13-8-11(16)5-6-14(13)19(15)12-4-3-7-18(2)9-12/h5-6,8,10,12,20H,3-4,7,9,16H2,1-2H3
InChIKeyLBJSHPJFRWOXDX-UHFFFAOYSA-N
XLogP1.94
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-amino-1-cyclopentylbenzimidazol-2-yl)ethanol
CID 62589071
1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 62506569
1-(1-methylpiperidin-3-yl)-2-propylbenzimidazol-5-amine
CID 62506407
1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 62507406
1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol
CID 62595452
5-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]piperidin-2-one
CID 63662334
1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 63497047
3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol
CID 106137531
1-cyclopropyl-2-[(1S)-1-hydroxyethyl]benzimidazole-5-carbonitrile
CID 66263871
6-bromo-2-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole
CID 116738845
1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol
CID 62596546
1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol
CID 106008330

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol (CID 62594160) is 1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol is CC(O)c1nc2cc(N)ccc2n1C1CCCN(C)C1.
What is the InChIKey of 1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol?
The InChIKey is LBJSHPJFRWOXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10(20)15-17-13-8-11(16)5-6-14(13)19(15)12-4-3-7-18(2)9-12/h5-6,8,10,12,20H,3-4,7,9,16H2,1-2H3.
What are the key properties of 1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol?
1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol has a molecular weight of 274.37 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 62594160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).