4-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]-2-pyridin-3-ylbenzonitrile

C24H21N5O2 — CID 11560610

IUPAC4-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]-2-pyridin-3-ylbenzonitrile
SMILESCOc1ccc(C2(c3ccc(C#N)c(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1C
InChIInChI=1S/C24H21N5O2/c1-15-11-18(8-9-21(15)31-3)24(22(30)29(2)23(26)28-24)19-7-6-16(13-25)20(12-19)17-5-4-10-27-14-17/h4-12,14H,1-3H3,(H2,26,28)
InChIKeyZPCHKGPANGLPQI-UHFFFAOYSA-N
MW411.47 g/mol
LogP2.97
Rot. Bonds4

About 4-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]-2-pyridin-3-ylbenzonitrile

4-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]-2-pyridin-3-ylbenzonitrile (PubChem CID 11560610) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 4-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]-2-pyridin-3-ylbenzonitrile.

Molecular Properties

Compound Name4-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]-2-pyridin-3-ylbenzonitrile
PubChem CID11560610
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name4-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]-2-pyridin-3-ylbenzonitrile
SMILESCOc1ccc(C2(c3ccc(C#N)c(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1C
InChIInChI=1S/C24H21N5O2/c1-15-11-18(8-9-21(15)31-3)24(22(30)29(2)23(26)28-24)19-7-6-16(13-25)20(12-19)17-5-4-10-27-14-17/h4-12,14H,1-3H3,(H2,26,28)
InChIKeyZPCHKGPANGLPQI-UHFFFAOYSA-N
XLogP2.97
TPSA104.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]-2-pyridin-3-ylbenzonitrile?
The IUPAC name of 4-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]-2-pyridin-3-ylbenzonitrile (CID 11560610) is 4-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]-2-pyridin-3-ylbenzonitrile.
What is the SMILES notation for 4-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]-2-pyridin-3-ylbenzonitrile?
The canonical SMILES for 4-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]-2-pyridin-3-ylbenzonitrile is COc1ccc(C2(c3ccc(C#N)c(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1C.
What is the InChIKey of 4-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]-2-pyridin-3-ylbenzonitrile?
The InChIKey is ZPCHKGPANGLPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-15-11-18(8-9-21(15)31-3)24(22(30)29(2)23(26)28-24)19-7-6-16(13-25)20(12-19)17-5-4-10-27-14-17/h4-12,14H,1-3H3,(H2,26,28).
What are the key properties of 4-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]-2-pyridin-3-ylbenzonitrile?
4-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]-2-pyridin-3-ylbenzonitrile has a molecular weight of 411.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-5-oxoimidazol-4-yl]-2-pyridin-3-ylbenzonitrile is sourced from PubChem (CID 11560610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).