3-[5-amino-2-(2-phenylethyl)benzimidazol-1-yl]propan-1-ol

C18H21N3O — CID 43912233

IUPAC3-[5-amino-2-(2-phenylethyl)benzimidazol-1-yl]propan-1-ol
SMILESNc1ccc2c(c1)nc(CCc1ccccc1)n2CCCO
InChIInChI=1S/C18H21N3O/c19-15-8-9-17-16(13-15)20-18(21(17)11-4-12-22)10-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,22H,4,7,10-12,19H2
InChIKeyHOVQSVWIIDXRBU-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.79
Rot. Bonds6

About 3-[5-amino-2-(2-phenylethyl)benzimidazol-1-yl]propan-1-ol

3-[5-amino-2-(2-phenylethyl)benzimidazol-1-yl]propan-1-ol (PubChem CID 43912233) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-[5-amino-2-(2-phenylethyl)benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-amino-2-(2-phenylethyl)benzimidazol-1-yl]propan-1-ol
PubChem CID43912233
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-[5-amino-2-(2-phenylethyl)benzimidazol-1-yl]propan-1-ol
SMILESNc1ccc2c(c1)nc(CCc1ccccc1)n2CCCO
InChIInChI=1S/C18H21N3O/c19-15-8-9-17-16(13-15)20-18(21(17)11-4-12-22)10-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,22H,4,7,10-12,19H2
InChIKeyHOVQSVWIIDXRBU-UHFFFAOYSA-N
XLogP2.79
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol
CID 43822520
N-hydroxy-1-(3-hydroxypropyl)-2-(2-phenylethyl)benzimidazole-5-carboxamide
CID 11382208
3-[5-amino-2-(2-methylpropyl)benzimidazol-1-yl]propan-1-ol
CID 43912232
2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine
CID 62506548
3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308503
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol
CID 107849624
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid
CID 82144764
2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine
CID 62506716
3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308504
2-(hydroxymethyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxylic acid
CID 46308423

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-2-(2-phenylethyl)benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-amino-2-(2-phenylethyl)benzimidazol-1-yl]propan-1-ol (CID 43912233) is 3-[5-amino-2-(2-phenylethyl)benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-amino-2-(2-phenylethyl)benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-amino-2-(2-phenylethyl)benzimidazol-1-yl]propan-1-ol is Nc1ccc2c(c1)nc(CCc1ccccc1)n2CCCO.
What is the InChIKey of 3-[5-amino-2-(2-phenylethyl)benzimidazol-1-yl]propan-1-ol?
The InChIKey is HOVQSVWIIDXRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c19-15-8-9-17-16(13-15)20-18(21(17)11-4-12-22)10-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,22H,4,7,10-12,19H2.
What are the key properties of 3-[5-amino-2-(2-phenylethyl)benzimidazol-1-yl]propan-1-ol?
3-[5-amino-2-(2-phenylethyl)benzimidazol-1-yl]propan-1-ol has a molecular weight of 295.39 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-2-(2-phenylethyl)benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 43912233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).