[5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol

C17H19N3O — CID 63011474

IUPAC[5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol
SMILESCC(Cc1ccccc1)n1c(CO)nc2cc(N)ccc21
InChIInChI=1S/C17H19N3O/c1-12(9-13-5-3-2-4-6-13)20-16-8-7-14(18)10-15(16)19-17(20)11-21/h2-8,10,12,21H,9,11,18H2,1H3
InChIKeyWJFZURZNXBPIJX-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.91
Rot. Bonds4

About [5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol

[5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol (PubChem CID 63011474) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol
PubChem CID63011474
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol
SMILESCC(Cc1ccccc1)n1c(CO)nc2cc(N)ccc21
InChIInChI=1S/C17H19N3O/c1-12(9-13-5-3-2-4-6-13)20-16-8-7-14(18)10-15(16)19-17(20)11-21/h2-8,10,12,21H,9,11,18H2,1H3
InChIKeyWJFZURZNXBPIJX-UHFFFAOYSA-N
XLogP2.91
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol?
The IUPAC name of [5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol (CID 63011474) is [5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol?
The canonical SMILES for [5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol is CC(Cc1ccccc1)n1c(CO)nc2cc(N)ccc21.
What is the InChIKey of [5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol?
The InChIKey is WJFZURZNXBPIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12(9-13-5-3-2-4-6-13)20-16-8-7-14(18)10-15(16)19-17(20)11-21/h2-8,10,12,21H,9,11,18H2,1H3.
What are the key properties of [5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol?
[5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol has a molecular weight of 281.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 63011474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).