(5S)-2-amino-5-(4-methoxy-3-methylphenyl)-5-[3-(2-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one

C24H24N4O3 — CID 52945654

IUPAC(5S)-2-amino-5-(4-methoxy-3-methylphenyl)-5-[3-(2-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one
SMILESCOc1ccc([C@]2(c3cccc(-c4cccnc4OC)c3)N=C(N)N(C)C2=O)cc1C
InChIInChI=1S/C24H24N4O3/c1-15-13-18(10-11-20(15)30-3)24(22(29)28(2)23(25)27-24)17-8-5-7-16(14-17)19-9-6-12-26-21(19)31-4/h5-14H,1-4H3,(H2,25,27)/t24-/m0/s1
InChIKeyGYVKAMFPTOBGLV-DEOSSOPVSA-N
MW416.48 g/mol
LogP3.10
Rot. Bonds5

About (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-5-[3-(2-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one

(5S)-2-amino-5-(4-methoxy-3-methylphenyl)-5-[3-(2-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one (PubChem CID 52945654) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-5-[3-(2-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name(5S)-2-amino-5-(4-methoxy-3-methylphenyl)-5-[3-(2-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one
PubChem CID52945654
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name(5S)-2-amino-5-(4-methoxy-3-methylphenyl)-5-[3-(2-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one
SMILESCOc1ccc([C@]2(c3cccc(-c4cccnc4OC)c3)N=C(N)N(C)C2=O)cc1C
InChIInChI=1S/C24H24N4O3/c1-15-13-18(10-11-20(15)30-3)24(22(29)28(2)23(25)27-24)17-8-5-7-16(14-17)19-9-6-12-26-21(19)31-4/h5-14H,1-4H3,(H2,25,27)/t24-/m0/s1
InChIKeyGYVKAMFPTOBGLV-DEOSSOPVSA-N
XLogP3.10
TPSA90.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-5-[3-(2-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-5-[3-(2-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one (CID 52945654) is (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-5-[3-(2-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-5-[3-(2-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-5-[3-(2-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one is COc1ccc([C@]2(c3cccc(-c4cccnc4OC)c3)N=C(N)N(C)C2=O)cc1C.
What is the InChIKey of (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-5-[3-(2-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
The InChIKey is GYVKAMFPTOBGLV-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15-13-18(10-11-20(15)30-3)24(22(29)28(2)23(25)27-24)17-8-5-7-16(14-17)19-9-6-12-26-21(19)31-4/h5-14H,1-4H3,(H2,25,27)/t24-/m0/s1.
What are the key properties of (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-5-[3-(2-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one?
(5S)-2-amino-5-(4-methoxy-3-methylphenyl)-5-[3-(2-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one has a molecular weight of 416.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-amino-5-(4-methoxy-3-methylphenyl)-5-[3-(2-methoxy-3-pyridinyl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 52945654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).