N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine

C13H15N5O — CID 56703534

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NCc1ccc2nonc2c1
InChIInChI=1S/C13H15N5O/c1-10(8-18-5-4-14-9-18)15-7-11-2-3-12-13(6-11)17-19-16-12/h2-6,9-10,15H,7-8H2,1H3
InChIKeyQFKLWOVHYMYTJF-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.60
Rot. Bonds5

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine

N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine (PubChem CID 56703534) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine
PubChem CID56703534
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine
SMILESCC(Cn1ccnc1)NCc1ccc2nonc2c1
InChIInChI=1S/C13H15N5O/c1-10(8-18-5-4-14-9-18)15-7-11-2-3-12-13(6-11)17-19-16-12/h2-6,9-10,15H,7-8H2,1H3
InChIKeyQFKLWOVHYMYTJF-UHFFFAOYSA-N
XLogP1.60
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
(2S)-N-[(3-bromo-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 51683999
N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 79979507
1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 43435620
1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 61212248
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzamide
CID 43792002
(2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061791
1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine
CID 66415546
N-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 43435635
2-[3-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenoxy]acetonitrile
CID 43791920
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzene-1,3-diol
CID 43749681

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine (CID 56703534) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine is CC(Cn1ccnc1)NCc1ccc2nonc2c1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine?
The InChIKey is QFKLWOVHYMYTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-10(8-18-5-4-14-9-18)15-7-11-2-3-12-13(6-11)17-19-16-12/h2-6,9-10,15H,7-8H2,1H3.
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine has a molecular weight of 257.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-imidazol-1-ylpropan-2-amine is sourced from PubChem (CID 56703534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).