N-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine

C26H22N4O — CID 20952842

IUPACN-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESc1ccc(CNc2c(-c3cccc(OCc4ccccc4)c3)nc3ncccn23)cc1
InChIInChI=1S/C26H22N4O/c1-3-9-20(10-4-1)18-28-25-24(29-26-27-15-8-16-30(25)26)22-13-7-14-23(17-22)31-19-21-11-5-2-6-12-21/h1-17,28H,18-19H2
InChIKeyMDJZVOXTXMTFDK-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.59
Rot. Bonds7

About N-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine

N-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine (PubChem CID 20952842) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is N-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
PubChem CID20952842
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC NameN-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
SMILESc1ccc(CNc2c(-c3cccc(OCc4ccccc4)c3)nc3ncccn23)cc1
InChIInChI=1S/C26H22N4O/c1-3-9-20(10-4-1)18-28-25-24(29-26-27-15-8-16-30(25)26)22-13-7-14-23(17-22)31-19-21-11-5-2-6-12-21/h1-17,28H,18-19H2
InChIKeyMDJZVOXTXMTFDK-UHFFFAOYSA-N
XLogP5.59
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-amine
CID 20952793
N-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 42740240
N-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 3619073
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 20952833
N-benzyl-3-phenylmethoxyaniline
CID 54801332
3-(3-phenylmethoxyphenyl)-2-propan-2-ylpyridine
CID 71204410
[2-(3-phenylmethoxyphenyl)-3-pyridinyl]methanamine
CID 22663707
[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] 2-chloropropanoate
CID 3899423
N-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 42738330
[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] (E)-3-phenylprop-2-enoate
CID 6050171
4-O-[3-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 1-O-ethyl butanedioate
CID 4990255

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine (CID 20952842) is N-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine is c1ccc(CNc2c(-c3cccc(OCc4ccccc4)c3)nc3ncccn23)cc1.
What is the InChIKey of N-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is MDJZVOXTXMTFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c1-3-9-20(10-4-1)18-28-25-24(29-26-27-15-8-16-30(25)26)22-13-7-14-23(17-22)31-19-21-11-5-2-6-12-21/h1-17,28H,18-19H2.
What are the key properties of N-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine?
N-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 406.49 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 20952842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).