1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol

C16H17N3O — CID 62594144

IUPAC1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol
SMILESCc1ccc(-n2c(C(C)O)nc3cc(N)ccc32)cc1
InChIInChI=1S/C16H17N3O/c1-10-3-6-13(7-4-10)19-15-8-5-12(17)9-14(15)18-16(19)11(2)20/h3-9,11,20H,17H2,1-2H3
InChIKeyWTOHOQGKGLPEFV-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.97
Rot. Bonds2

About 1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol

1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol (PubChem CID 62594144) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol
PubChem CID62594144
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol
SMILESCc1ccc(-n2c(C(C)O)nc3cc(N)ccc32)cc1
InChIInChI=1S/C16H17N3O/c1-10-3-6-13(7-4-10)19-15-8-5-12(17)9-14(15)18-16(19)11(2)20/h3-9,11,20H,17H2,1-2H3
InChIKeyWTOHOQGKGLPEFV-UHFFFAOYSA-N
XLogP2.97
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.97
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

1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol
CID 62596546
1-[5-amino-1-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol
CID 107603576
1-[5-amino-1-(2-chlorophenyl)benzimidazol-2-yl]ethanol
CID 62596168
1-(4-fluoro-3-methylphenyl)-2-propan-2-ylbenzimidazol-5-amine
CID 62812258
1-[5-amino-1-(2-bromo-4-fluorophenyl)benzimidazol-2-yl]ethanol
CID 62594889
1-(5-amino-1-cyclopentylbenzimidazol-2-yl)ethanol
CID 62589071
1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol
CID 62589068
1-[5-amino-1-(3-methylpentan-3-yl)benzimidazol-2-yl]ethanol
CID 106329546
5-methyl-1-phenyl-2-propan-2-ylbenzimidazole
CID 70987216
1-[5-amino-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-yl]ethanol
CID 62595651
1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol
CID 62595452
1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol
CID 55091268

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol (CID 62594144) is 1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol is Cc1ccc(-n2c(C(C)O)nc3cc(N)ccc32)cc1.
What is the InChIKey of 1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol?
The InChIKey is WTOHOQGKGLPEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-3-6-13(7-4-10)19-15-8-5-12(17)9-14(15)18-16(19)11(2)20/h3-9,11,20H,17H2,1-2H3.
What are the key properties of 1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol?
1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol has a molecular weight of 267.33 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 62594144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).