2-[(dimethylamino)methyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]aniline

C22H26N4 — CID 177207868

IUPAC2-[(dimethylamino)methyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]aniline
SMILESCN(C)Cc1ccccc1Nc1ccc(-c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C22H26N4/c1-25(2)15-18-7-3-4-8-20(18)23-19-12-10-17(11-13-19)21-16-26-14-6-5-9-22(26)24-21/h3-4,7-8,10-13,16,23H,5-6,9,14-15H2,1-2H3
InChIKeyNTHDATNATJPDDF-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.69
Rot. Bonds5

About 2-[(dimethylamino)methyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]aniline

2-[(dimethylamino)methyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]aniline (PubChem CID 177207868) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]aniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]aniline
PubChem CID177207868
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name2-[(dimethylamino)methyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]aniline
SMILESCN(C)Cc1ccccc1Nc1ccc(-c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C22H26N4/c1-25(2)15-18-7-3-4-8-20(18)23-19-12-10-17(11-13-19)21-16-26-14-6-5-9-22(26)24-21/h3-4,7-8,10-13,16,23H,5-6,9,14-15H2,1-2H3
InChIKeyNTHDATNATJPDDF-UHFFFAOYSA-N
XLogP4.69
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]aniline?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]aniline (CID 177207868) is 2-[(dimethylamino)methyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]aniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]aniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]aniline is CN(C)Cc1ccccc1Nc1ccc(-c2cn3c(n2)CCCC3)cc1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]aniline?
The InChIKey is NTHDATNATJPDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-25(2)15-18-7-3-4-8-20(18)23-19-12-10-17(11-13-19)21-16-26-14-6-5-9-22(26)24-21/h3-4,7-8,10-13,16,23H,5-6,9,14-15H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]aniline?
2-[(dimethylamino)methyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]aniline has a molecular weight of 346.48 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]aniline is sourced from PubChem (CID 177207868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).