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

C15H19N5O — CID 106106443

IUPAC1-[5-amino-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(N)ccc2n1CCc1ccn(C)n1
InChIInChI=1S/C15H19N5O/c1-10(21)15-17-13-9-11(16)3-4-14(13)20(15)8-6-12-5-7-19(2)18-12/h3-5,7,9-10,21H,6,8,16H2,1-2H3
InChIKeyDDLQLRMBJJKDIJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.65
Rot. Bonds4

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

1-[5-amino-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazol-2-yl]ethanol (PubChem CID 106106443) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[5-amino-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-amino-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazol-2-yl]ethanol
PubChem CID106106443
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[5-amino-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(N)ccc2n1CCc1ccn(C)n1
InChIInChI=1S/C15H19N5O/c1-10(21)15-17-13-9-11(16)3-4-14(13)20(15)8-6-12-5-7-19(2)18-12/h3-5,7,9-10,21H,6,8,16H2,1-2H3
InChIKeyDDLQLRMBJJKDIJ-UHFFFAOYSA-N
XLogP1.65
TPSA81.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(1-chloroethyl)-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole
CID 106105762
1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol
CID 62594347
1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol
CID 55091268
4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide
CID 55091707
methyl 3-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]propanoate
CID 55091800
1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol
CID 62595828
1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol
CID 106008330
1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol
CID 62595452
1-(5-amino-1-cyclopentylbenzimidazol-2-yl)ethanol
CID 62589071
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol
CID 62589068
1-[5-amino-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanol
CID 62591100

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[5-amino-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazol-2-yl]ethanol (CID 106106443) is 1-[5-amino-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-amino-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[5-amino-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazol-2-yl]ethanol is CC(O)c1nc2cc(N)ccc2n1CCc1ccn(C)n1.
What is the InChIKey of 1-[5-amino-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazol-2-yl]ethanol?
The InChIKey is DDLQLRMBJJKDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10(21)15-17-13-9-11(16)3-4-14(13)20(15)8-6-12-5-7-19(2)18-12/h3-5,7,9-10,21H,6,8,16H2,1-2H3.
What are the key properties of 1-[5-amino-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazol-2-yl]ethanol?
1-[5-amino-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazol-2-yl]ethanol has a molecular weight of 285.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 106106443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).