N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine

C22H19N7O — CID 178075687

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine
SMILESCOc1cc(Nc2ncc3c(ncn3-c3ccccc3)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H19N7O/c1-15-12-28(13-24-15)18-9-8-16(10-20(18)30-2)26-22-23-11-19-21(27-22)25-14-29(19)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,23,26,27)
InChIKeyPNPJPPJYRXJTNK-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.06
Rot. Bonds5

About N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine (PubChem CID 178075687) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine
PubChem CID178075687
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine
SMILESCOc1cc(Nc2ncc3c(ncn3-c3ccccc3)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H19N7O/c1-15-12-28(13-24-15)18-9-8-16(10-20(18)30-2)26-22-23-11-19-21(27-22)25-14-29(19)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,23,26,27)
InChIKeyPNPJPPJYRXJTNK-UHFFFAOYSA-N
XLogP4.06
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-4-phenyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 118717945
2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-5-phenylpyrimidin-4-yl]-2-phenylacetic acid
CID 68630360
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(1-phenylethyl)-1,2,4-triazol-3-amine
CID 46214071
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
benzene;N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine;molecular hydrogen
CID 144890338
6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 178075717
(7R)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-7-(phenoxymethyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118246283
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 177241909
1-benzyl-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one
CID 178075743
3-benzyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2H-pyrazolo[4,3-c]pyridin-6-amine
CID 178075751
6-(2-fluoroethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-phenyl-7,8-dihydro-5H-pyrimido[5,4-f][1,4]oxazepin-2-amine
CID 75288703

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine (CID 178075687) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine is COc1cc(Nc2ncc3c(ncn3-c3ccccc3)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine?
The InChIKey is PNPJPPJYRXJTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-15-12-28(13-24-15)18-9-8-16(10-20(18)30-2)26-22-23-11-19-21(27-22)25-14-29(19)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,23,26,27).
What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine has a molecular weight of 397.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine is sourced from PubChem (CID 178075687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).