N-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine

C28H25N3O — CID 3619073

IUPACN-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc(-c2nc3c(OCc4ccccc4)cccn3c2NCc2ccccc2)c1
InChIInChI=1S/C28H25N3O/c1-21-10-8-15-24(18-21)26-28(29-19-22-11-4-2-5-12-22)31-17-9-16-25(27(31)30-26)32-20-23-13-6-3-7-14-23/h2-18,29H,19-20H2,1H3
InChIKeyJNCFLIJFSQQXRN-UHFFFAOYSA-N
MW419.53 g/mol
LogP6.50
Rot. Bonds7

About N-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine

N-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine (PubChem CID 3619073) has the molecular formula C28H25N3O and a molecular weight of 419.53 g/mol. Its IUPAC name is N-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
PubChem CID3619073
Molecular FormulaC28H25N3O
Molecular Weight419.53 g/mol
Exact Mass419.20
IUPAC NameN-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
SMILESCc1cccc(-c2nc3c(OCc4ccccc4)cccn3c2NCc2ccccc2)c1
InChIInChI=1S/C28H25N3O/c1-21-10-8-15-24(18-21)26-28(29-19-22-11-4-2-5-12-22)31-17-9-16-25(27(31)30-26)32-20-23-13-6-3-7-14-23/h2-18,29H,19-20H2,1H3
InChIKeyJNCFLIJFSQQXRN-UHFFFAOYSA-N
XLogP6.50
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(2-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 3532130
N-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 42738330
ethyl 2-[(2-phenyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 42738205
N-(2,6-dimethylphenyl)-8-phenylmethoxy-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
CID 5241001
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate
CID 6050171
N-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 20952842
4-O-[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 1-O-ethyl butanedioate
CID 4990255
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-phenylbenzoate
CID 42743727
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] heptanoate
CID 4253763
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-chloropropanoate
CID 3899423
N-tert-butyl-2-(2-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 4644219
[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylmethoxyacetate
CID 3997505

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine (CID 3619073) is N-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine is Cc1cccc(-c2nc3c(OCc4ccccc4)cccn3c2NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?
The InChIKey is JNCFLIJFSQQXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O/c1-21-10-8-15-24(18-21)26-28(29-19-22-11-4-2-5-12-22)31-17-9-16-25(27(31)30-26)32-20-23-13-6-3-7-14-23/h2-18,29H,19-20H2,1H3.
What are the key properties of N-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?
N-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine has a molecular weight of 419.53 g/mol, XLogP of 6.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 3619073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).