4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine

C13H18N4 — CID 114530112

IUPAC4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine
SMILESCn1ccnc1CCC(N)Cc1ccncc1
InChIInChI=1S/C13H18N4/c1-17-9-8-16-13(17)3-2-12(14)10-11-4-6-15-7-5-11/h4-9,12H,2-3,10,14H2,1H3
InChIKeyZMUYSIDRFGXGQK-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.32
Rot. Bonds5

About 4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine

4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine (PubChem CID 114530112) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine
PubChem CID114530112
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine
SMILESCn1ccnc1CCC(N)Cc1ccncc1
InChIInChI=1S/C13H18N4/c1-17-9-8-16-13(17)3-2-12(14)10-11-4-6-15-7-5-11/h4-9,12H,2-3,10,14H2,1H3
InChIKeyZMUYSIDRFGXGQK-UHFFFAOYSA-N
XLogP1.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114530092
1-(1-methylimidazol-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 79752618
1-(2,4-dichlorophenyl)-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114529939
3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol
CID 114529061
1-(1-methylimidazol-2-yl)-N-propyl-5-pyridin-4-ylpentan-3-amine
CID 105187730
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine
CID 103517203
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105066124
1-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529915
1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
CID 114527270
2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114533122

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine?
The IUPAC name of 4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine (CID 114530112) is 4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine is Cn1ccnc1CCC(N)Cc1ccncc1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine?
The InChIKey is ZMUYSIDRFGXGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-17-9-8-16-13(17)3-2-12(14)10-11-4-6-15-7-5-11/h4-9,12H,2-3,10,14H2,1H3.
What are the key properties of 4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine?
4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine has a molecular weight of 230.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-1-pyridin-4-ylbutan-2-amine is sourced from PubChem (CID 114530112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).