2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol

C13H19N3O — CID 66165447

IUPAC2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol
SMILESCCCn1c(C(O)CN)nc2cc(C)ccc21
InChIInChI=1S/C13H19N3O/c1-3-6-16-11-5-4-9(2)7-10(11)15-13(16)12(17)8-14/h4-5,7,12,17H,3,6,8,14H2,1-2H3
InChIKeyGLUOTSAUVUWRBE-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.75
Rot. Bonds4

About 2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol

2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol (PubChem CID 66165447) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol
PubChem CID66165447
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol
SMILESCCCn1c(C(O)CN)nc2cc(C)ccc21
InChIInChI=1S/C13H19N3O/c1-3-6-16-11-5-4-9(2)7-10(11)15-13(16)12(17)8-14/h4-5,7,12,17H,3,6,8,14H2,1-2H3
InChIKeyGLUOTSAUVUWRBE-UHFFFAOYSA-N
XLogP1.75
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835397
2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine
CID 65221305
2-bromo-5-methyl-1-propylbenzimidazole
CID 84804393
2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82333051
1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 60784991
2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine
CID 62675893
1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol
CID 60785614
3-amino-1-(1,5-dimethylbenzimidazol-2-yl)propan-1-ol
CID 107835396
1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333047
4-[(5-methyl-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60784514
ethyl 5-methyl-1-propylbenzimidazole-2-carboxylate
CID 55189984
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol?
The IUPAC name of 2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol (CID 66165447) is 2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol is CCCn1c(C(O)CN)nc2cc(C)ccc21.
What is the InChIKey of 2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol?
The InChIKey is GLUOTSAUVUWRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-6-16-11-5-4-9(2)7-10(11)15-13(16)12(17)8-14/h4-5,7,12,17H,3,6,8,14H2,1-2H3.
What are the key properties of 2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol?
2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol has a molecular weight of 233.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 66165447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).