2-[2,1,3-benzoxadiazol-4-ylmethyl(1H-imidazol-2-ylmethyl)amino]ethanol

C13H15N5O2 — CID 137341868

IUPAC2-[2,1,3-benzoxadiazol-4-ylmethyl(1H-imidazol-2-ylmethyl)amino]ethanol
SMILESOCCN(Cc1ncc[nH]1)Cc1cccc2nonc12
InChIInChI=1S/C13H15N5O2/c19-7-6-18(9-12-14-4-5-15-12)8-10-2-1-3-11-13(10)17-20-16-11/h1-5,19H,6-9H2,(H,14,15)
InChIKeyVUFYVPRSCBGRDI-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.94
Rot. Bonds6

About 2-[2,1,3-benzoxadiazol-4-ylmethyl(1H-imidazol-2-ylmethyl)amino]ethanol

2-[2,1,3-benzoxadiazol-4-ylmethyl(1H-imidazol-2-ylmethyl)amino]ethanol (PubChem CID 137341868) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-[2,1,3-benzoxadiazol-4-ylmethyl(1H-imidazol-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,1,3-benzoxadiazol-4-ylmethyl(1H-imidazol-2-ylmethyl)amino]ethanol
PubChem CID137341868
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-[2,1,3-benzoxadiazol-4-ylmethyl(1H-imidazol-2-ylmethyl)amino]ethanol
SMILESOCCN(Cc1ncc[nH]1)Cc1cccc2nonc12
InChIInChI=1S/C13H15N5O2/c19-7-6-18(9-12-14-4-5-15-12)8-10-2-1-3-11-13(10)17-20-16-11/h1-5,19H,6-9H2,(H,14,15)
InChIKeyVUFYVPRSCBGRDI-UHFFFAOYSA-N
XLogP0.94
TPSA91.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2,1,3-benzoxadiazol-4-ylmethyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
CID 135090448
2-[benzyl(1H-imidazol-2-ylmethyl)amino]ethanol
CID 130159418
formic acid;2-[1H-imidazol-2-ylmethyl-[(2-phenylmethoxyphenyl)methyl]amino]ethanol
CID 154917736
N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 46985889
2-[1H-imidazol-2-ylmethyl-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]amino]ethanol
CID 135090272
2-[1H-imidazol-2-ylmethyl-[[3-(5-methylfuran-2-yl)phenyl]methyl]amino]ethanol
CID 135114004
2-[1H-imidazol-2-ylmethyl(2-phenylpropyl)amino]ethanol
CID 135097925
2-[1H-imidazol-2-ylmethyl-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]ethanol
CID 135111454
N-ethyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 14627457
2-[4-amino-N-(1H-imidazol-2-ylmethyl)anilino]ethanol
CID 22486449
2-[1H-imidazol-2-ylmethyl-[[4-(4-morpholin-4-ylbutoxy)phenyl]methyl]amino]ethanol
CID 166615101
2-[[2-[2-hydroxyethyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]methyl]phenol
CID 102193195

Frequently Asked Questions

What is the IUPAC name of 2-[2,1,3-benzoxadiazol-4-ylmethyl(1H-imidazol-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2,1,3-benzoxadiazol-4-ylmethyl(1H-imidazol-2-ylmethyl)amino]ethanol (CID 137341868) is 2-[2,1,3-benzoxadiazol-4-ylmethyl(1H-imidazol-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2,1,3-benzoxadiazol-4-ylmethyl(1H-imidazol-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2,1,3-benzoxadiazol-4-ylmethyl(1H-imidazol-2-ylmethyl)amino]ethanol is OCCN(Cc1ncc[nH]1)Cc1cccc2nonc12.
What is the InChIKey of 2-[2,1,3-benzoxadiazol-4-ylmethyl(1H-imidazol-2-ylmethyl)amino]ethanol?
The InChIKey is VUFYVPRSCBGRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-7-6-18(9-12-14-4-5-15-12)8-10-2-1-3-11-13(10)17-20-16-11/h1-5,19H,6-9H2,(H,14,15).
What are the key properties of 2-[2,1,3-benzoxadiazol-4-ylmethyl(1H-imidazol-2-ylmethyl)amino]ethanol?
2-[2,1,3-benzoxadiazol-4-ylmethyl(1H-imidazol-2-ylmethyl)amino]ethanol has a molecular weight of 273.30 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,1,3-benzoxadiazol-4-ylmethyl(1H-imidazol-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 137341868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).