2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol

C14H21N3O — CID 82333051

IUPAC2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol
SMILESCCCC(N)c1nc2cc(C)ccc2n1CCO
InChIInChI=1S/C14H21N3O/c1-3-4-11(15)14-16-12-9-10(2)5-6-13(12)17(14)7-8-18/h5-6,9,11,18H,3-4,7-8,15H2,1-2H3
InChIKeyRFGJQDSMLMFXTE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.14
Rot. Bonds5

About 2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol

2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol (PubChem CID 82333051) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol
PubChem CID82333051
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol
SMILESCCCC(N)c1nc2cc(C)ccc2n1CCO
InChIInChI=1S/C14H21N3O/c1-3-4-11(15)14-16-12-9-10(2)5-6-13(12)17(14)7-8-18/h5-6,9,11,18H,3-4,7-8,15H2,1-2H3
InChIKeyRFGJQDSMLMFXTE-UHFFFAOYSA-N
XLogP2.14
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333047
4-[2-(1-aminopentyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333098
1-(5-methyl-1-propylbenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 60784991
2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol
CID 82332591
3-methyl-1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333059
3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835397
2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol
CID 66165447
2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82332966
3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol
CID 61228731
2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine
CID 65221305
1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol
CID 60785614
3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 61230255

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol (CID 82333051) is 2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol is CCCC(N)c1nc2cc(C)ccc2n1CCO.
What is the InChIKey of 2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol?
The InChIKey is RFGJQDSMLMFXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-4-11(15)14-16-12-9-10(2)5-6-13(12)17(14)7-8-18/h5-6,9,11,18H,3-4,7-8,15H2,1-2H3.
What are the key properties of 2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol?
2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol has a molecular weight of 247.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol is sourced from PubChem (CID 82333051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).