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

C13H16N6 — CID 120969780

IUPACN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(NCc2cccnc2-n2ccnc2)N1
InChIInChI=1S/C13H16N6/c1-10-7-16-13(18-10)17-8-11-3-2-4-15-12(11)19-6-5-14-9-19/h2-6,9-10H,7-8H2,1H3,(H2,16,17,18)
InChIKeyXJCKZXYKPYNQIK-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.70
Rot. Bonds3

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

N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 120969780) 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]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID120969780
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(NCc2cccnc2-n2ccnc2)N1
InChIInChI=1S/C13H16N6/c1-10-7-16-13(18-10)17-8-11-3-2-4-15-12(11)19-6-5-14-9-19/h2-6,9-10H,7-8H2,1H3,(H2,16,17,18)
InChIKeyXJCKZXYKPYNQIK-UHFFFAOYSA-N
XLogP0.70
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine with MolForge

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Related Compounds

N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969782
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 62293447
1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine
CID 119114542
5-methyl-N-(2-pyridin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 120969474
1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine
CID 99844699
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 45248847
1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea
CID 154781453
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119114539
(2R)-2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide;dihydrochloride
CID 119848231
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide
CID 42519834
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 56718456
2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 71936589

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (CID 120969780) is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is CC1CN=C(NCc2cccnc2-n2ccnc2)N1.
What is the InChIKey of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is XJCKZXYKPYNQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-10-7-16-13(18-10)17-8-11-3-2-4-15-12(11)19-6-5-14-9-19/h2-6,9-10H,7-8H2,1H3,(H2,16,17,18).
What are the key properties of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 256.31 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 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]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 120969780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).