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

C16H19N3OS — CID 62595651

IUPAC1-[5-amino-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-yl]ethanol
SMILESCc1ccc(C(C)n2c(C(C)O)nc3cc(N)ccc32)s1
InChIInChI=1S/C16H19N3OS/c1-9-4-7-15(21-9)10(2)19-14-6-5-12(17)8-13(14)18-16(19)11(3)20/h4-8,10-11,20H,17H2,1-3H3
InChIKeyYTSFQYCJVXYEKL-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.65
Rot. Bonds3

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

1-[5-amino-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-yl]ethanol (PubChem CID 62595651) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 1-[5-amino-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-amino-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-yl]ethanol
PubChem CID62595651
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name1-[5-amino-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-yl]ethanol
SMILESCc1ccc(C(C)n2c(C(C)O)nc3cc(N)ccc32)s1
InChIInChI=1S/C16H19N3OS/c1-9-4-7-15(21-9)10(2)19-14-6-5-12(17)8-13(14)18-16(19)11(3)20/h4-8,10-11,20H,17H2,1-3H3
InChIKeyYTSFQYCJVXYEKL-UHFFFAOYSA-N
XLogP3.65
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.65
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-butan-2-ylbenzimidazol-2-yl)ethanol
CID 62589068
1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol
CID 62596546
1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol
CID 62594144
5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
CID 66076960
5-chloro-2-(chloromethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
CID 61477689
5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
CID 66087858
2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine
CID 62843355
1-(5-amino-1-cyclopentylbenzimidazol-2-yl)ethanol
CID 62589071
1-[5-amino-1-(3-methylpentan-3-yl)benzimidazol-2-yl]ethanol
CID 106329546
1-[5-amino-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanol
CID 62591100
1-[5-amino-1-(2,6-dibromophenyl)benzimidazol-2-yl]ethanol
CID 107603576
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine
CID 62507585

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[5-amino-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-yl]ethanol (CID 62595651) is 1-[5-amino-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-amino-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[5-amino-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-yl]ethanol is Cc1ccc(C(C)n2c(C(C)O)nc3cc(N)ccc32)s1.
What is the InChIKey of 1-[5-amino-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-yl]ethanol?
The InChIKey is YTSFQYCJVXYEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-9-4-7-15(21-9)10(2)19-14-6-5-12(17)8-13(14)18-16(19)11(3)20/h4-8,10-11,20H,17H2,1-3H3.
What are the key properties of 1-[5-amino-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-yl]ethanol?
1-[5-amino-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-yl]ethanol has a molecular weight of 301.42 g/mol, XLogP of 3.65, 3 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-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 62595651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).