[3,5-dimethyl-4-(1-methyl-5-pyridin-4-ylimidazol-4-yl)phenyl]methanamine

C18H20N4 — CID 138115332

IUPAC[3,5-dimethyl-4-(1-methyl-5-pyridin-4-ylimidazol-4-yl)phenyl]methanamine
SMILESCc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccncc1
InChIInChI=1S/C18H20N4/c1-12-8-14(10-19)9-13(2)16(12)17-18(22(3)11-21-17)15-4-6-20-7-5-15/h4-9,11H,10,19H2,1-3H3
InChIKeyLYFZPAXTPPYSEC-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.22
Rot. Bonds3

About [3,5-dimethyl-4-(1-methyl-5-pyridin-4-ylimidazol-4-yl)phenyl]methanamine

[3,5-dimethyl-4-(1-methyl-5-pyridin-4-ylimidazol-4-yl)phenyl]methanamine (PubChem CID 138115332) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is [3,5-dimethyl-4-(1-methyl-5-pyridin-4-ylimidazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-4-(1-methyl-5-pyridin-4-ylimidazol-4-yl)phenyl]methanamine
PubChem CID138115332
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name[3,5-dimethyl-4-(1-methyl-5-pyridin-4-ylimidazol-4-yl)phenyl]methanamine
SMILESCc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccncc1
InChIInChI=1S/C18H20N4/c1-12-8-14(10-19)9-13(2)16(12)17-18(22(3)11-21-17)15-4-6-20-7-5-15/h4-9,11H,10,19H2,1-3H3
InChIKeyLYFZPAXTPPYSEC-UHFFFAOYSA-N
XLogP3.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-(1-methyl-5-pyridin-4-ylimidazol-4-yl)phenyl]methanamine?
The IUPAC name of [3,5-dimethyl-4-(1-methyl-5-pyridin-4-ylimidazol-4-yl)phenyl]methanamine (CID 138115332) is [3,5-dimethyl-4-(1-methyl-5-pyridin-4-ylimidazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [3,5-dimethyl-4-(1-methyl-5-pyridin-4-ylimidazol-4-yl)phenyl]methanamine?
The canonical SMILES for [3,5-dimethyl-4-(1-methyl-5-pyridin-4-ylimidazol-4-yl)phenyl]methanamine is Cc1cc(CN)cc(C)c1-c1ncn(C)c1-c1ccncc1.
What is the InChIKey of [3,5-dimethyl-4-(1-methyl-5-pyridin-4-ylimidazol-4-yl)phenyl]methanamine?
The InChIKey is LYFZPAXTPPYSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-12-8-14(10-19)9-13(2)16(12)17-18(22(3)11-21-17)15-4-6-20-7-5-15/h4-9,11H,10,19H2,1-3H3.
What are the key properties of [3,5-dimethyl-4-(1-methyl-5-pyridin-4-ylimidazol-4-yl)phenyl]methanamine?
[3,5-dimethyl-4-(1-methyl-5-pyridin-4-ylimidazol-4-yl)phenyl]methanamine has a molecular weight of 292.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-(1-methyl-5-pyridin-4-ylimidazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 138115332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).