6-chloro-2-[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole

C17H12ClFN4O — CID 136929676

IUPAC6-chloro-2-[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)[nH]n2)c(F)c1
InChIInChI=1S/C17H12ClFN4O/c1-24-10-3-4-11(12(19)7-10)14-8-16(23-22-14)17-20-13-5-2-9(18)6-15(13)21-17/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyVPIKZWIUNPKOMG-UHFFFAOYSA-N
MW342.76 g/mol
LogP4.42
Rot. Bonds3

About 6-chloro-2-[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole

6-chloro-2-[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (PubChem CID 136929676) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is 6-chloro-2-[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
PubChem CID136929676
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC Name6-chloro-2-[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)[nH]n2)c(F)c1
InChIInChI=1S/C17H12ClFN4O/c1-24-10-3-4-11(12(19)7-10)14-8-16(23-22-14)17-20-13-5-2-9(18)6-15(13)21-17/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyVPIKZWIUNPKOMG-UHFFFAOYSA-N
XLogP4.42
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1H-benzimidazole
CID 137002135
(E)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512146
(Z)-2-[[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369039
5,6-Dichloro-2-(4-methoxyphenyl)-1h-benzo[d]imidazole
CID 39158436
2-[3-(4-Methoxyphenyl)-1-phenyl-1 h-pyrazol-4-yl]-1 h-benzimidazole
CID 122189098
6-chloro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazole
CID 59443
2-[5-(4-methoxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
CID 2303842
5,6-dichloro-2-[(4-methoxyphenyl)methyl]-1H-benzimidazole
CID 39158445
6-chloro-2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 102883692
6-fluoro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
CID 122189099
6-chloro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
CID 122189100
5,6-dichloro-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
CID 122189106

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole (CID 136929676) is 6-chloro-2-[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is COc1ccc(-c2cc(-c3nc4ccc(Cl)cc4[nH]3)[nH]n2)c(F)c1.
What is the InChIKey of 6-chloro-2-[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
The InChIKey is VPIKZWIUNPKOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c1-24-10-3-4-11(12(19)7-10)14-8-16(23-22-14)17-20-13-5-2-9(18)6-15(13)21-17/h2-8H,1H3,(H,20,21)(H,22,23).
What are the key properties of 6-chloro-2-[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole?
6-chloro-2-[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole has a molecular weight of 342.76 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 136929676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).