N-benzyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine;2,6-dichloro-N-(2-phenylimidazo[1,2-a]pyridin-8-yl)benzamide

C42H34Cl2N6O — CID 123380309

IUPACN-benzyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine;2,6-dichloro-N-(2-phenylimidazo[1,2-a]pyridin-8-yl)benzamide
SMILESCc1ccc(-c2cn3cc(C)cc(NCc4ccccc4)c3n2)cc1.O=C(Nc1cccn2cc(-c3ccccc3)nc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C22H21N3.C20H13Cl2N3O/c1-16-8-10-19(11-9-16)21-15-25-14-17(2)12-20(22(25)24-21)23-13-18-6-4-3-5-7-18;21-14-8-4-9-15(22)18(14)20(26)24-16-10-5-11-25-12-17(23-19(16)25)13-6-2-1-3-7-13/h3-12,14-15,23H,13H2,1-2H3;1-12H,(H,24,26)
InChIKeyOXTDYDLPWRDEQP-UHFFFAOYSA-N
MW709.68 g/mol
LogP10.79
Rot. Bonds7

About N-benzyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine;2,6-dichloro-N-(2-phenylimidazo[1,2-a]pyridin-8-yl)benzamide

N-benzyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine;2,6-dichloro-N-(2-phenylimidazo[1,2-a]pyridin-8-yl)benzamide (PubChem CID 123380309) has the molecular formula C42H34Cl2N6O and a molecular weight of 709.68 g/mol. Its IUPAC name is N-benzyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine;2,6-dichloro-N-(2-phenylimidazo[1,2-a]pyridin-8-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine;2,6-dichloro-N-(2-phenylimidazo[1,2-a]pyridin-8-yl)benzamide
PubChem CID123380309
Molecular FormulaC42H34Cl2N6O
Molecular Weight709.68 g/mol
Exact Mass708.22
IUPAC NameN-benzyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine;2,6-dichloro-N-(2-phenylimidazo[1,2-a]pyridin-8-yl)benzamide
SMILESCc1ccc(-c2cn3cc(C)cc(NCc4ccccc4)c3n2)cc1.O=C(Nc1cccn2cc(-c3ccccc3)nc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C22H21N3.C20H13Cl2N3O/c1-16-8-10-19(11-9-16)21-15-25-14-17(2)12-20(22(25)24-21)23-13-18-6-4-3-5-7-18;21-14-8-4-9-15(22)18(14)20(26)24-16-10-5-11-25-12-17(23-19(16)25)13-6-2-1-3-7-13/h3-12,14-15,23H,13H2,1-2H3;1-12H,(H,24,26)
InChIKeyOXTDYDLPWRDEQP-UHFFFAOYSA-N
XLogP10.79
TPSA75.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.68
LogP ≤ 510.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Diphenyl purine derivative 3
CID 72713197
N-[1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-piperidinyl]benzamide
CID 71455551
Aminoimidazo[1,2-a]pyridine deriv. 2e
CID 5330604
N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3,4-difluorobenzamide
CID 155547150
N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-2-fluorobenzamide
CID 155560783
4-chloro-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 884414
2,4-Dichloro-N-[3-(1-methyl-piperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-benzamide
CID 10971452
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(pyridin-2-yl)benzamide
CID 11222404
2,6-difluoro-N-(3-(3-(2-(3-(pyrrolidin-1-ylmethyl)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 44571764
4-(5-chloropyridin-2-yl)-N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)benzamide
CID 45267576
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methyl-2-pyridyl)benzamide
CID 45271839
{4-[1-(2,6-Dichloro-benzyl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl]-phenyl}-(2-pyrrolidin-1-ylmethylpyrrolidin-1-yl)-methanone
CID 46907265

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine;2,6-dichloro-N-(2-phenylimidazo[1,2-a]pyridin-8-yl)benzamide?
The IUPAC name of N-benzyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine;2,6-dichloro-N-(2-phenylimidazo[1,2-a]pyridin-8-yl)benzamide (CID 123380309) is N-benzyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine;2,6-dichloro-N-(2-phenylimidazo[1,2-a]pyridin-8-yl)benzamide.
What is the SMILES notation for N-benzyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine;2,6-dichloro-N-(2-phenylimidazo[1,2-a]pyridin-8-yl)benzamide?
The canonical SMILES for N-benzyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine;2,6-dichloro-N-(2-phenylimidazo[1,2-a]pyridin-8-yl)benzamide is Cc1ccc(-c2cn3cc(C)cc(NCc4ccccc4)c3n2)cc1.O=C(Nc1cccn2cc(-c3ccccc3)nc12)c1c(Cl)cccc1Cl.
What is the InChIKey of N-benzyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine;2,6-dichloro-N-(2-phenylimidazo[1,2-a]pyridin-8-yl)benzamide?
The InChIKey is OXTDYDLPWRDEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3.C20H13Cl2N3O/c1-16-8-10-19(11-9-16)21-15-25-14-17(2)12-20(22(25)24-21)23-13-18-6-4-3-5-7-18;21-14-8-4-9-15(22)18(14)20(26)24-16-10-5-11-25-12-17(23-19(16)25)13-6-2-1-3-7-13/h3-12,14-15,23H,13H2,1-2H3;1-12H,(H,24,26).
What are the key properties of N-benzyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine;2,6-dichloro-N-(2-phenylimidazo[1,2-a]pyridin-8-yl)benzamide?
N-benzyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine;2,6-dichloro-N-(2-phenylimidazo[1,2-a]pyridin-8-yl)benzamide has a molecular weight of 709.68 g/mol, XLogP of 10.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-amine;2,6-dichloro-N-(2-phenylimidazo[1,2-a]pyridin-8-yl)benzamide is sourced from PubChem (CID 123380309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).