[2-[4-(3,4-dimethylphenyl)phenyl]-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

C22H25N3 — CID 69398875

IUPAC[2-[4-(3,4-dimethylphenyl)phenyl]-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCc1ccc(-c2ccc(C3=NC4=CCC(CN)CN4C3)cc2)cc1C
InChIInChI=1S/C22H25N3/c1-15-3-5-20(11-16(15)2)18-6-8-19(9-7-18)21-14-25-13-17(12-23)4-10-22(25)24-21/h3,5-11,17H,4,12-14,23H2,1-2H3
InChIKeyMZZIMYFOAJQVTE-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.90
Rot. Bonds3

About [2-[4-(3,4-dimethylphenyl)phenyl]-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

[2-[4-(3,4-dimethylphenyl)phenyl]-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 69398875) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is [2-[4-(3,4-dimethylphenyl)phenyl]-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[2-[4-(3,4-dimethylphenyl)phenyl]-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID69398875
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name[2-[4-(3,4-dimethylphenyl)phenyl]-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCc1ccc(-c2ccc(C3=NC4=CCC(CN)CN4C3)cc2)cc1C
InChIInChI=1S/C22H25N3/c1-15-3-5-20(11-16(15)2)18-6-8-19(9-7-18)21-14-25-13-17(12-23)4-10-22(25)24-21/h3,5-11,17H,4,12-14,23H2,1-2H3
InChIKeyMZZIMYFOAJQVTE-UHFFFAOYSA-N
XLogP3.90
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(3,4-dimethylphenyl)phenyl]-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of [2-[4-(3,4-dimethylphenyl)phenyl]-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 69398875) is [2-[4-(3,4-dimethylphenyl)phenyl]-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [2-[4-(3,4-dimethylphenyl)phenyl]-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for [2-[4-(3,4-dimethylphenyl)phenyl]-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is Cc1ccc(-c2ccc(C3=NC4=CCC(CN)CN4C3)cc2)cc1C.
What is the InChIKey of [2-[4-(3,4-dimethylphenyl)phenyl]-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is MZZIMYFOAJQVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-15-3-5-20(11-16(15)2)18-6-8-19(9-7-18)21-14-25-13-17(12-23)4-10-22(25)24-21/h3,5-11,17H,4,12-14,23H2,1-2H3.
What are the key properties of [2-[4-(3,4-dimethylphenyl)phenyl]-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
[2-[4-(3,4-dimethylphenyl)phenyl]-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 331.46 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3,4-dimethylphenyl)phenyl]-3,5,6,7-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 69398875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).