N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine

C13H16N6 — CID 120969782

IUPACN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1cccnc1-n1ccnc1
InChIInChI=1S/C13H16N6/c1-18-7-6-16-13(18)17-9-11-3-2-4-15-12(11)19-8-5-14-10-19/h2-5,8,10H,6-7,9H2,1H3,(H,16,17)
InChIKeyFENZCFAEUAEWIG-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.66
Rot. Bonds3

About N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120969782) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120969782
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1cccnc1-n1ccnc1
InChIInChI=1S/C13H16N6/c1-18-7-6-16-13(18)17-9-11-3-2-4-15-12(11)19-8-5-14-10-19/h2-5,8,10H,6-7,9H2,1H3,(H,16,17)
InChIKeyFENZCFAEUAEWIG-UHFFFAOYSA-N
XLogP0.66
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120970569
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969350
N-[(2-ethoxy-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969710
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 120969780
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 62293447
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119114539
N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969504
1-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120970119
(2R)-2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide;dihydrochloride
CID 119848231
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969799
1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine
CID 99844699
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971050

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120969782) is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCc1cccnc1-n1ccnc1.
What is the InChIKey of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is FENZCFAEUAEWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-18-7-6-16-13(18)17-9-11-3-2-4-15-12(11)19-8-5-14-10-19/h2-5,8,10H,6-7,9H2,1H3,(H,16,17).
What are the key properties of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 256.31 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120969782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).