1-(4-imidazol-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one

C22H22N8O — CID 155453631

IUPAC1-(4-imidazol-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
SMILESCC(C)n1cnnc1-c1cccc(N2CCN(c3ccc(-n4ccnc4)cc3)C2=O)n1
InChIInChI=1S/C22H22N8O/c1-16(2)30-15-24-26-21(30)19-4-3-5-20(25-19)29-13-12-28(22(29)31)18-8-6-17(7-9-18)27-11-10-23-14-27/h3-11,14-16H,12-13H2,1-2H3
InChIKeyUXFUMGVIUMJTEE-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.55
Rot. Bonds5

About 1-(4-imidazol-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one

1-(4-imidazol-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 155453631) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-imidazol-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
PubChem CID155453631
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name1-(4-imidazol-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
SMILESCC(C)n1cnnc1-c1cccc(N2CCN(c3ccc(-n4ccnc4)cc3)C2=O)n1
InChIInChI=1S/C22H22N8O/c1-16(2)30-15-24-26-21(30)19-4-3-5-20(25-19)29-13-12-28(22(29)31)18-8-6-17(7-9-18)27-11-10-23-14-27/h3-11,14-16H,12-13H2,1-2H3
InChIKeyUXFUMGVIUMJTEE-UHFFFAOYSA-N
XLogP3.55
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-morpholin-4-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 155453426
1-(4-methylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-propoxypropane
CID 155748065
1-(3-cyclopropyl-4-fluorophenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 155435171
N-methyl-1-[5-[2-oxo-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-1-yl]-2-pyridinyl]azetidine-3-carboxamide
CID 155435180
cyclohexane;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-(4-methylsulfonyl-3-piperidin-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 167564183
1-(5-piperazin-1-yl-2-pyridinyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazol-2-one
CID 155230944
3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one
CID 154636541
1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-ol
CID 138465187
5-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 137435676
1-(4-methylsulfanylphenyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 155748047
6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one
CID 150701965
[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]boronic acid
CID 148580494

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-(4-imidazol-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one (CID 155453631) is 1-(4-imidazol-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-imidazol-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-imidazol-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one is CC(C)n1cnnc1-c1cccc(N2CCN(c3ccc(-n4ccnc4)cc3)C2=O)n1.
What is the InChIKey of 1-(4-imidazol-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is UXFUMGVIUMJTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-16(2)30-15-24-26-21(30)19-4-3-5-20(25-19)29-13-12-28(22(29)31)18-8-6-17(7-9-18)27-11-10-23-14-27/h3-11,14-16H,12-13H2,1-2H3.
What are the key properties of 1-(4-imidazol-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
1-(4-imidazol-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 414.47 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 155453631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).