6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole

C17H14N4O — CID 136929757

IUPAC6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
SMILESCOc1ccc2nc(-c3cc(-c4ccccc4)n[nH]3)[nH]c2c1
InChIInChI=1S/C17H14N4O/c1-22-12-7-8-13-15(9-12)19-17(18-13)16-10-14(20-21-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyTUMNFOXLTPZOFR-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.63
Rot. Bonds3

About 6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole

6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole (PubChem CID 136929757) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
PubChem CID136929757
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
SMILESCOc1ccc2nc(-c3cc(-c4ccccc4)n[nH]3)[nH]c2c1
InChIInChI=1S/C17H14N4O/c1-22-12-7-8-13-15(9-12)19-17(18-13)16-10-14(20-21-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyTUMNFOXLTPZOFR-UHFFFAOYSA-N
XLogP3.63
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-fluoro-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929686
3-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 754001
[3-fluoro-4-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol
CID 136960147
5-bromo-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole
CID 136929736
2-(2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017607
6-methoxy-2-naphthalen-1-yl-1H-benzimidazole
CID 65017512
2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole
CID 136929715
6-methoxy-2-(5-methylfuran-3-yl)-1H-benzimidazole
CID 114821621
2-[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-nitro-1H-benzimidazole
CID 136929767
2-(5-iodothiophen-3-yl)-6-methoxy-1H-benzimidazole
CID 79693448
6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-1H-benzimidazole iodide
CID 142671163
2-(1-benzofuran-2-yl)-6-methoxy-1H-benzimidazole
CID 65017699

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole (CID 136929757) is 6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole is COc1ccc2nc(-c3cc(-c4ccccc4)n[nH]3)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole?
The InChIKey is TUMNFOXLTPZOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-22-12-7-8-13-15(9-12)19-17(18-13)16-10-14(20-21-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of 6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole?
6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole has a molecular weight of 290.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole is sourced from PubChem (CID 136929757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).