4-[2-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)imidazole-4-carbonyl]-1-methylpiperazin-2-one

C22H23N5O3 — CID 23110194

IUPAC4-[2-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)imidazole-4-carbonyl]-1-methylpiperazin-2-one
SMILESCOc1ccc(-c2nc(C(=O)N3CCN(C)C(=O)C3)cn2-c2ccc(C)cc2)cn1
InChIInChI=1S/C22H23N5O3/c1-15-4-7-17(8-5-15)27-13-18(22(29)26-11-10-25(2)20(28)14-26)24-21(27)16-6-9-19(30-3)23-12-16/h4-9,12-13H,10-11,14H2,1-3H3
InChIKeyNJHARXNWSQIDJH-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.17
Rot. Bonds4

About 4-[2-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)imidazole-4-carbonyl]-1-methylpiperazin-2-one

4-[2-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)imidazole-4-carbonyl]-1-methylpiperazin-2-one (PubChem CID 23110194) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 4-[2-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)imidazole-4-carbonyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)imidazole-4-carbonyl]-1-methylpiperazin-2-one
PubChem CID23110194
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name4-[2-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)imidazole-4-carbonyl]-1-methylpiperazin-2-one
SMILESCOc1ccc(-c2nc(C(=O)N3CCN(C)C(=O)C3)cn2-c2ccc(C)cc2)cn1
InChIInChI=1S/C22H23N5O3/c1-15-4-7-17(8-5-15)27-13-18(22(29)26-11-10-25(2)20(28)14-26)24-21(27)16-6-9-19(30-3)23-12-16/h4-9,12-13H,10-11,14H2,1-3H3
InChIKeyNJHARXNWSQIDJH-UHFFFAOYSA-N
XLogP2.17
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)imidazole-4-carbonyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)imidazole-4-carbonyl]-1-methylpiperazin-2-one (CID 23110194) is 4-[2-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)imidazole-4-carbonyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)imidazole-4-carbonyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)imidazole-4-carbonyl]-1-methylpiperazin-2-one is COc1ccc(-c2nc(C(=O)N3CCN(C)C(=O)C3)cn2-c2ccc(C)cc2)cn1.
What is the InChIKey of 4-[2-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)imidazole-4-carbonyl]-1-methylpiperazin-2-one?
The InChIKey is NJHARXNWSQIDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-15-4-7-17(8-5-15)27-13-18(22(29)26-11-10-25(2)20(28)14-26)24-21(27)16-6-9-19(30-3)23-12-16/h4-9,12-13H,10-11,14H2,1-3H3.
What are the key properties of 4-[2-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)imidazole-4-carbonyl]-1-methylpiperazin-2-one?
4-[2-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)imidazole-4-carbonyl]-1-methylpiperazin-2-one has a molecular weight of 405.46 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)imidazole-4-carbonyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 23110194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).