5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole

C19H16Cl2N4O3 — CID 136929746

IUPAC5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1cc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc(OC)c1OC
InChIInChI=1S/C19H16Cl2N4O3/c1-26-16-4-9(5-17(27-2)18(16)28-3)12-8-15(25-24-12)19-22-13-6-10(20)11(21)7-14(13)23-19/h4-8H,1-3H3,(H,22,23)(H,24,25)
InChIKeyYLQVPICGJHUERK-UHFFFAOYSA-N
MW419.27 g/mol
LogP4.95
Rot. Bonds5

About 5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole

5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (PubChem CID 136929746) has the molecular formula C19H16Cl2N4O3 and a molecular weight of 419.27 g/mol. Its IUPAC name is 5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
PubChem CID136929746
Molecular FormulaC19H16Cl2N4O3
Molecular Weight419.27 g/mol
Exact Mass418.06
IUPAC Name5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1cc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc(OC)c1OC
InChIInChI=1S/C19H16Cl2N4O3/c1-26-16-4-9(5-17(27-2)18(16)28-3)12-8-15(25-24-12)19-22-13-6-10(20)11(21)7-14(13)23-19/h4-8H,1-3H3,(H,22,23)(H,24,25)
InChIKeyYLQVPICGJHUERK-UHFFFAOYSA-N
XLogP4.95
TPSA85.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.27
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929756
[5-[5-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
CID 136960169
5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929686
2-(5-bromo-2,3-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole
CID 110532330
2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole
CID 136929715
2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole
CID 136960216
2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole
CID 110532332
5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole
CID 136960198
5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 82004397
6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 924719
6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
CID 136929757
[5-[5-[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
CID 136960177

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (CID 136929746) is 5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is COc1cc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc(OC)c1OC.
What is the InChIKey of 5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The InChIKey is YLQVPICGJHUERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3/c1-26-16-4-9(5-17(27-2)18(16)28-3)12-8-15(25-24-12)19-22-13-6-10(20)11(21)7-14(13)23-19/h4-8H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole has a molecular weight of 419.27 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 136929746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).