N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylphenyl)imidazo[1,2-a]pyridin-8-amine

C30H25N5O — CID 67416890

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylphenyl)imidazo[1,2-a]pyridin-8-amine
SMILESCOc1cc(Nc2cccn3c(-c4cccc(-c5ccccc5)c4)cnc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C30H25N5O/c1-21-19-34(20-32-21)27-14-13-25(17-29(27)36-2)33-26-12-7-15-35-28(18-31-30(26)35)24-11-6-10-23(16-24)22-8-4-3-5-9-22/h3-20,33H,1-2H3
InChIKeyHIQJLTUQBXNQOR-UHFFFAOYSA-N
MW471.56 g/mol
LogP6.91
Rot. Bonds6

About N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylphenyl)imidazo[1,2-a]pyridin-8-amine

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylphenyl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 67416890) has the molecular formula C30H25N5O and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylphenyl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylphenyl)imidazo[1,2-a]pyridin-8-amine
PubChem CID67416890
Molecular FormulaC30H25N5O
Molecular Weight471.56 g/mol
Exact Mass471.21
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylphenyl)imidazo[1,2-a]pyridin-8-amine
SMILESCOc1cc(Nc2cccn3c(-c4cccc(-c5ccccc5)c4)cnc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C30H25N5O/c1-21-19-34(20-32-21)27-14-13-25(17-29(27)36-2)33-26-12-7-15-35-28(18-31-30(26)35)24-11-6-10-23(16-24)22-8-4-3-5-9-22/h3-20,33H,1-2H3
InChIKeyHIQJLTUQBXNQOR-UHFFFAOYSA-N
XLogP6.91
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[4-(2-methylpropyl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 67415643
2-(2-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine
CID 141273910
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 177241909
2-tert-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-indol-4-amine
CID 141273914
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(1-phenylethyl)-1,2,4-triazol-3-amine
CID 46214071
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine
CID 178075687
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridin-2-one
CID 70271003
3-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide
CID 67807911
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-5-phenylpyrimidin-4-yl]-2-phenylacetic acid
CID 68630360
4-(3-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624681

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylphenyl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylphenyl)imidazo[1,2-a]pyridin-8-amine (CID 67416890) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylphenyl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylphenyl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylphenyl)imidazo[1,2-a]pyridin-8-amine is COc1cc(Nc2cccn3c(-c4cccc(-c5ccccc5)c4)cnc23)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylphenyl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is HIQJLTUQBXNQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O/c1-21-19-34(20-32-21)27-14-13-25(17-29(27)36-2)33-26-12-7-15-35-28(18-31-30(26)35)24-11-6-10-23(16-24)22-8-4-3-5-9-22/h3-20,33H,1-2H3.
What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylphenyl)imidazo[1,2-a]pyridin-8-amine?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylphenyl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 471.56 g/mol, XLogP of 6.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylphenyl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 67416890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).