5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile

C23H19N5O2 — CID 11639859

IUPAC5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1C#N
InChIInChI=1S/C23H19N5O2/c1-28-21(29)23(27-22(28)25,19-8-9-20(30-2)17(12-19)13-24)18-7-3-5-15(11-18)16-6-4-10-26-14-16/h3-12,14H,1-2H3,(H2,25,27)
InChIKeyOHTIBTGUVJBMTO-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.66
Rot. Bonds4

About 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile

5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile (PubChem CID 11639859) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile
PubChem CID11639859
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1C#N
InChIInChI=1S/C23H19N5O2/c1-28-21(29)23(27-22(28)25,19-8-9-20(30-2)17(12-19)13-24)18-7-3-5-15(11-18)16-6-4-10-26-14-16/h3-12,14H,1-2H3,(H2,25,27)
InChIKeyOHTIBTGUVJBMTO-UHFFFAOYSA-N
XLogP2.66
TPSA104.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5r)-2-Amino-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methyl-5-[4-(trifluoromethoxy)phenyl]-3,5-dihydro-4h-imidazol-4-one
CID 11539562
(4r,4a's,10a's)-2-Amino-8'-(2-Fluoropyridin-3-Yl)-1-Methyl-3',4',4a',10a'-Tetrahydro-1'h-Spiro[imidazole-4,10'-Pyrano[4,3-B]chromen]-5(1h)-One
CID 56947421
(4s,4a's,10a'r)-2-Amino-8'-(2-Fluoropyridin-3-Yl)-1-Methyl-3',4',4a',10a'-Tetrahydro-2'h-Spiro[imidazole-4,10'-Pyrano[3,2-B]chromen]-5(1h)-One
CID 56948072
2-Amino-3-methyl-2',7'-dipyridin-3-ylspiro[imidazole-5,9'-xanthene]-4-one
CID 53465113
2-Amino-4'-fluoro-7'-(2-fluoro-3-pyridinyl)-2'-(2-fluoro-4-pyridinyl)-3-methylspiro[imidazole-5,9'-xanthene]-4-one
CID 90656183
(8r)-3,3-Difluoro-8-[4-Fluoro-3-(Pyridin-3-Yl)phenyl]-8-(4-Methoxy-3-Methylphenyl)-2,3,4,8-Tetrahydroimidazo[1,5-A]pyrimidin-6-Amine
CID 57396607
(1R,4aR,10R,10aR)-2'-amino-8-(2-fluoro-3-pyridinyl)-1,3'-dimethylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one
CID 76318242
2-amino-4-(3-butoxy-4-methoxyphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11510567
2-amino-4-(4-methoxy-3-methylphenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11516577
2-amino-4-(4-fluoro-3-(pyrimidin-5-yl)phenyl)-4-(4-methoxy-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 11517020
2-amino-4-(benzo[d][1,3]dioxol-5-yl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11531131
2-amino-4-(4-methoxy-3-(trifluoromethyl)phenyl)-1-methyl-4-(3-(pyridin-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 11532248

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile?
The IUPAC name of 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile (CID 11639859) is 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile is COc1ccc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1C#N.
What is the InChIKey of 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile?
The InChIKey is OHTIBTGUVJBMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-28-21(29)23(27-22(28)25,19-8-9-20(30-2)17(12-19)13-24)18-7-3-5-15(11-18)16-6-4-10-26-14-16/h3-12,14H,1-2H3,(H2,25,27).
What are the key properties of 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile?
5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile has a molecular weight of 397.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-1-methyl-5-oxo-4-(3-pyridin-3-ylphenyl)imidazol-4-yl]-2-methoxybenzonitrile is sourced from PubChem (CID 11639859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).