N-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine

C26H21N7O — CID 155587897

IUPACN-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine
SMILESCOc1ccn2c(-c3cc(NCc4ccc(-n5cnc6ccccc65)cc4)ncn3)cnc2c1
InChIInChI=1S/C26H21N7O/c1-34-20-10-11-32-24(15-28-26(32)12-20)22-13-25(30-16-29-22)27-14-18-6-8-19(9-7-18)33-17-31-21-4-2-3-5-23(21)33/h2-13,15-17H,14H2,1H3,(H,27,29,30)
InChIKeyCADKYARSXTWJCY-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.75
Rot. Bonds6

About N-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine

N-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine (PubChem CID 155587897) has the molecular formula C26H21N7O and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine
PubChem CID155587897
Molecular FormulaC26H21N7O
Molecular Weight447.50 g/mol
Exact Mass447.18
IUPAC NameN-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine
SMILESCOc1ccn2c(-c3cc(NCc4ccc(-n5cnc6ccccc65)cc4)ncn3)cnc2c1
InChIInChI=1S/C26H21N7O/c1-34-20-10-11-32-24(15-28-26(32)12-20)22-13-25(30-16-29-22)27-14-18-6-8-19(9-7-18)33-17-31-21-4-2-3-5-23(21)33/h2-13,15-17H,14H2,1H3,(H,27,29,30)
InChIKeyCADKYARSXTWJCY-UHFFFAOYSA-N
XLogP4.75
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587788
(Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine
CID 155587723
N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 155587837
(Z)-N'-[4-[[[6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]amino]methyl]phenyl]ethene-1,2-diamine
CID 155587675
6-[7-(3-methylsulfonylpropoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587473
6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587755
2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline
CID 118867936
N-[[4-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]phenyl]methyl]-6-[7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 155587894
6-[7-[3-(azetidin-1-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587846
6-[7-[2-(3-fluoroazetidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587590
3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine
CID 155587709
6-(benzimidazol-1-yl)-N-propylpyrimidin-4-amine
CID 80853526

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine?
The IUPAC name of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine (CID 155587897) is N-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine is COc1ccn2c(-c3cc(NCc4ccc(-n5cnc6ccccc65)cc4)ncn3)cnc2c1.
What is the InChIKey of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine?
The InChIKey is CADKYARSXTWJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O/c1-34-20-10-11-32-24(15-28-26(32)12-20)22-13-25(30-16-29-22)27-14-18-6-8-19(9-7-18)33-17-31-21-4-2-3-5-23(21)33/h2-13,15-17H,14H2,1H3,(H,27,29,30).
What are the key properties of N-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine?
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine has a molecular weight of 447.50 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 155587897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).