6-methoxy-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole

C24H20N4O2 — CID 122189102

IUPAC6-methoxy-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccc(OC)cc3[nH]2)cc1
InChIInChI=1S/C24H20N4O2/c1-29-18-10-8-16(9-11-18)23-20(15-28(27-23)17-6-4-3-5-7-17)24-25-21-13-12-19(30-2)14-22(21)26-24/h3-15H,1-2H3,(H,25,26)
InChIKeyKCSYMFPPGPQVQO-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.10
Rot. Bonds5

About 6-methoxy-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole

6-methoxy-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole (PubChem CID 122189102) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 6-methoxy-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
PubChem CID122189102
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name6-methoxy-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccc(OC)cc3[nH]2)cc1
InChIInChI=1S/C24H20N4O2/c1-29-18-10-8-16(9-11-18)23-20(15-28(27-23)17-6-4-3-5-7-17)24-25-21-13-12-19(30-2)14-22(21)26-24/h3-15H,1-2H3,(H,25,26)
InChIKeyKCSYMFPPGPQVQO-UHFFFAOYSA-N
XLogP5.10
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole (CID 122189102) is 6-methoxy-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole is COc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccc(OC)cc3[nH]2)cc1.
What is the InChIKey of 6-methoxy-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
The InChIKey is KCSYMFPPGPQVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-29-18-10-8-16(9-11-18)23-20(15-28(27-23)17-6-4-3-5-7-17)24-25-21-13-12-19(30-2)14-22(21)26-24/h3-15H,1-2H3,(H,25,26).
What are the key properties of 6-methoxy-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole?
6-methoxy-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole has a molecular weight of 396.45 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-1H-benzimidazole is sourced from PubChem (CID 122189102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).