1-(2-chlorophenyl)-2,5-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]imidazole

C23H23ClN4O3 — CID 141454566

IUPAC1-(2-chlorophenyl)-2,5-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]imidazole
SMILESCOc1cc(-c2cc(-c3nc(C)n(-c4ccccc4Cl)c3C)[nH]n2)cc(OC)c1OC
InChIInChI=1S/C23H23ClN4O3/c1-13-22(25-14(2)28(13)19-9-7-6-8-16(19)24)18-12-17(26-27-18)15-10-20(29-3)23(31-5)21(11-15)30-4/h6-12H,1-5H3,(H,26,27)
InChIKeyIDWBMKDAAHXPDL-UHFFFAOYSA-N
MW438.92 g/mol
LogP5.23
Rot. Bonds6

About 1-(2-chlorophenyl)-2,5-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]imidazole

1-(2-chlorophenyl)-2,5-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]imidazole (PubChem CID 141454566) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2,5-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]imidazole.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2,5-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]imidazole
PubChem CID141454566
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name1-(2-chlorophenyl)-2,5-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]imidazole
SMILESCOc1cc(-c2cc(-c3nc(C)n(-c4ccccc4Cl)c3C)[nH]n2)cc(OC)c1OC
InChIInChI=1S/C23H23ClN4O3/c1-13-22(25-14(2)28(13)19-9-7-6-8-16(19)24)18-12-17(26-27-18)15-10-20(29-3)23(31-5)21(11-15)30-4/h6-12H,1-5H3,(H,26,27)
InChIKeyIDWBMKDAAHXPDL-UHFFFAOYSA-N
XLogP5.23
TPSA74.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.92
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2,5-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]imidazole?
The IUPAC name of 1-(2-chlorophenyl)-2,5-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]imidazole (CID 141454566) is 1-(2-chlorophenyl)-2,5-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]imidazole.
What is the SMILES notation for 1-(2-chlorophenyl)-2,5-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]imidazole?
The canonical SMILES for 1-(2-chlorophenyl)-2,5-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]imidazole is COc1cc(-c2cc(-c3nc(C)n(-c4ccccc4Cl)c3C)[nH]n2)cc(OC)c1OC.
What is the InChIKey of 1-(2-chlorophenyl)-2,5-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]imidazole?
The InChIKey is IDWBMKDAAHXPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-13-22(25-14(2)28(13)19-9-7-6-8-16(19)24)18-12-17(26-27-18)15-10-20(29-3)23(31-5)21(11-15)30-4/h6-12H,1-5H3,(H,26,27).
What are the key properties of 1-(2-chlorophenyl)-2,5-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]imidazole?
1-(2-chlorophenyl)-2,5-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]imidazole has a molecular weight of 438.92 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2,5-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]imidazole is sourced from PubChem (CID 141454566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).