1-bromo-4-(2-methoxyethylsulfonyl)benzene;1-[4-(2-methoxyethylsulfonyl)phenyl]-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one

C44H53BrN12O8S2 — CID 167635332

IUPAC1-bromo-4-(2-methoxyethylsulfonyl)benzene;1-[4-(2-methoxyethylsulfonyl)phenyl]-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
SMILESCC(C)n1cnnc1-c1cccc(N2CCNC2=O)n1.COCCS(=O)(=O)c1ccc(Br)cc1.COCCS(=O)(=O)c1ccc(N2CCN(c3cccc(-c4nncn4C(C)C)n3)C2=O)cc1
InChIInChI=1S/C22H26N6O4S.C13H16N6O.C9H11BrO3S/c1-16(2)28-15-23-25-21(28)19-5-4-6-20(24-19)27-12-11-26(22(27)29)17-7-9-18(10-8-17)33(30,31)14-13-32-3;1-9(2)19-8-15-17-12(19)10-4-3-5-11(16-10)18-7-6-14-13(18)20;1-13-6-7-14(11,12)9-4-2-8(10)3-5-9/h4-10,15-16H,11-14H2,1-3H3;3-5,8-9H,6-7H2,1-2H3,(H,14,20);2-5H,6-7H2,1H3
InChIKeyOJWKBVVWXMHISP-UHFFFAOYSA-N
MW1022.02 g/mol
LogP6.11
Rot. Bonds15

About 1-bromo-4-(2-methoxyethylsulfonyl)benzene;1-[4-(2-methoxyethylsulfonyl)phenyl]-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one

1-bromo-4-(2-methoxyethylsulfonyl)benzene;1-[4-(2-methoxyethylsulfonyl)phenyl]-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 167635332) has the molecular formula C44H53BrN12O8S2 and a molecular weight of 1022.02 g/mol. Its IUPAC name is 1-bromo-4-(2-methoxyethylsulfonyl)benzene;1-[4-(2-methoxyethylsulfonyl)phenyl]-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-bromo-4-(2-methoxyethylsulfonyl)benzene;1-[4-(2-methoxyethylsulfonyl)phenyl]-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
PubChem CID167635332
Molecular FormulaC44H53BrN12O8S2
Molecular Weight1022.02 g/mol
Exact Mass1020.27
IUPAC Name1-bromo-4-(2-methoxyethylsulfonyl)benzene;1-[4-(2-methoxyethylsulfonyl)phenyl]-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
SMILESCC(C)n1cnnc1-c1cccc(N2CCNC2=O)n1.COCCS(=O)(=O)c1ccc(Br)cc1.COCCS(=O)(=O)c1ccc(N2CCN(c3cccc(-c4nncn4C(C)C)n3)C2=O)cc1
InChIInChI=1S/C22H26N6O4S.C13H16N6O.C9H11BrO3S/c1-16(2)28-15-23-25-21(28)19-5-4-6-20(24-19)27-12-11-26(22(27)29)17-7-9-18(10-8-17)33(30,31)14-13-32-3;1-9(2)19-8-15-17-12(19)10-4-3-5-11(16-10)18-7-6-14-13(18)20;1-13-6-7-14(11,12)9-4-2-8(10)3-5-9/h4-10,15-16H,11-14H2,1-3H3;3-5,8-9H,6-7H2,1-2H3,(H,14,20);2-5H,6-7H2,1H3
InChIKeyOJWKBVVWXMHISP-UHFFFAOYSA-N
XLogP6.11
TPSA229.83 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001022.02
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 1-bromo-4-(2-methoxyethylsulfonyl)benzene;1-[4-(2-methoxyethylsulfonyl)phenyl]-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one with MolForge

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Related Compounds

4-Bromo-2-fluoro-1-methylsulfonylbenzene;1-(3-fluoro-4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 167567908
1-Bromo-4-methylsulfonylbenzene;1-(4-methylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 167643153
1-Bromo-4-(methylsulfonylmethyl)benzene;1-[4-(methylsulfonylmethyl)phenyl]-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 167653191
1-Bromo-4-cyclopropylsulfonylbenzene;1-(4-cyclopropylsulfonylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 167692135

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-methoxyethylsulfonyl)benzene;1-[4-(2-methoxyethylsulfonyl)phenyl]-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-bromo-4-(2-methoxyethylsulfonyl)benzene;1-[4-(2-methoxyethylsulfonyl)phenyl]-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one (CID 167635332) is 1-bromo-4-(2-methoxyethylsulfonyl)benzene;1-[4-(2-methoxyethylsulfonyl)phenyl]-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-bromo-4-(2-methoxyethylsulfonyl)benzene;1-[4-(2-methoxyethylsulfonyl)phenyl]-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-bromo-4-(2-methoxyethylsulfonyl)benzene;1-[4-(2-methoxyethylsulfonyl)phenyl]-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one is CC(C)n1cnnc1-c1cccc(N2CCNC2=O)n1.COCCS(=O)(=O)c1ccc(Br)cc1.COCCS(=O)(=O)c1ccc(N2CCN(c3cccc(-c4nncn4C(C)C)n3)C2=O)cc1.
What is the InChIKey of 1-bromo-4-(2-methoxyethylsulfonyl)benzene;1-[4-(2-methoxyethylsulfonyl)phenyl]-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is OJWKBVVWXMHISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4S.C13H16N6O.C9H11BrO3S/c1-16(2)28-15-23-25-21(28)19-5-4-6-20(24-19)27-12-11-26(22(27)29)17-7-9-18(10-8-17)33(30,31)14-13-32-3;1-9(2)19-8-15-17-12(19)10-4-3-5-11(16-10)18-7-6-14-13(18)20;1-13-6-7-14(11,12)9-4-2-8(10)3-5-9/h4-10,15-16H,11-14H2,1-3H3;3-5,8-9H,6-7H2,1-2H3,(H,14,20);2-5H,6-7H2,1H3.
What are the key properties of 1-bromo-4-(2-methoxyethylsulfonyl)benzene;1-[4-(2-methoxyethylsulfonyl)phenyl]-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
1-bromo-4-(2-methoxyethylsulfonyl)benzene;1-[4-(2-methoxyethylsulfonyl)phenyl]-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 1022.02 g/mol, XLogP of 6.11, 15 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-methoxyethylsulfonyl)benzene;1-[4-(2-methoxyethylsulfonyl)phenyl]-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one;1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 167635332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).