2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine

C13H18N4 — CID 116877273

IUPAC2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine
SMILESCC(C)(N)CCc1ncc(-c2ccccn2)[nH]1
InChIInChI=1S/C13H18N4/c1-13(2,14)7-6-12-16-9-11(17-12)10-5-3-4-8-15-10/h3-5,8-9H,6-7,14H2,1-2H3,(H,16,17)
InChIKeyMGDNIYOJNXXSHG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.14
Rot. Bonds4

About 2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine

2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine (PubChem CID 116877273) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine
PubChem CID116877273
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine
SMILESCC(C)(N)CCc1ncc(-c2ccccn2)[nH]1
InChIInChI=1S/C13H18N4/c1-13(2,14)7-6-12-16-9-11(17-12)10-5-3-4-8-15-10/h3-5,8-9H,6-7,14H2,1-2H3,(H,16,17)
InChIKeyMGDNIYOJNXXSHG-UHFFFAOYSA-N
XLogP2.14
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-ol
CID 116878481
2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine
CID 116877075
2-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-2-ol
CID 116881427
1-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine
CID 43649901
3-methyl-2-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-1-amine
CID 65231005
2-phenyl-2-(5-pyridin-2-yl-1H-imidazol-2-yl)ethanamine
CID 62878389
1-(5-pyridin-2-yl-1H-imidazol-2-yl)-4-(2,4,6-trimethylphenyl)butan-2-one
CID 160531362
2-methyl-4-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)butan-2-amine
CID 141089095
2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride
CID 172801598
[3-(5-pyridin-2-yl-1H-imidazol-2-yl)oxetan-3-yl]methanamine
CID 116882738
2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride
CID 13170817
4-[(5-pyridin-2-yl-1H-imidazol-2-yl)methyl]-1,4-benzothiazin-3-one
CID 170639967

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine?
The IUPAC name of 2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine (CID 116877273) is 2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine?
The canonical SMILES for 2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine is CC(C)(N)CCc1ncc(-c2ccccn2)[nH]1.
What is the InChIKey of 2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine?
The InChIKey is MGDNIYOJNXXSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-13(2,14)7-6-12-16-9-11(17-12)10-5-3-4-8-15-10/h3-5,8-9H,6-7,14H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine?
2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine is sourced from PubChem (CID 116877273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).