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

C18H14Cl2N4 — CID 136929756

IUPAC5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc1C
InChIInChI=1S/C18H14Cl2N4/c1-9-3-4-11(5-10(9)2)14-8-17(24-23-14)18-21-15-6-12(19)13(20)7-16(15)22-18/h3-8H,1-2H3,(H,21,22)(H,23,24)
InChIKeySDEJMQBBDMGAQK-UHFFFAOYSA-N
MW357.24 g/mol
LogP5.54
Rot. Bonds2

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

5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (PubChem CID 136929756) has the molecular formula C18H14Cl2N4 and a molecular weight of 357.24 g/mol. Its IUPAC name is 5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
PubChem CID136929756
Molecular FormulaC18H14Cl2N4
Molecular Weight357.24 g/mol
Exact Mass356.06
IUPAC Name5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc1C
InChIInChI=1S/C18H14Cl2N4/c1-9-3-4-11(5-10(9)2)14-8-17(24-23-14)18-21-15-6-12(19)13(20)7-16(15)22-18/h3-8H,1-2H3,(H,21,22)(H,23,24)
InChIKeySDEJMQBBDMGAQK-UHFFFAOYSA-N
XLogP5.54
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.24
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-5-fluoro-6-methyl-1H-benzimidazole
CID 136960216
5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole
CID 136960198
5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929746
5,6-dichloro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 82004686
5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929686
5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline
CID 82003874
2-(3-chloro-4-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 82880012
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole
CID 136929715
6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one
CID 162410075
2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole
CID 103222477
5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 78912050

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (CID 136929756) is 5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is Cc1ccc(-c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)[nH]n2)cc1C.
What is the InChIKey of 5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The InChIKey is SDEJMQBBDMGAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4/c1-9-3-4-11(5-10(9)2)14-8-17(24-23-14)18-21-15-6-12(19)13(20)7-16(15)22-18/h3-8H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole has a molecular weight of 357.24 g/mol, XLogP of 5.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 136929756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).