1-[(3-bromophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole

C30H23BrN4O — CID 164614201

IUPAC1-[(3-bromophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3n2Cc2cccc(Br)c2)cc1
InChIInChI=1S/C30H23BrN4O/c1-36-25-16-14-22(15-17-25)29-26(20-35(33-29)24-10-3-2-4-11-24)30-32-27-12-5-6-13-28(27)34(30)19-21-8-7-9-23(31)18-21/h2-18,20H,19H2,1H3
InChIKeyPCCZJGNEUDYRQM-UHFFFAOYSA-N
MW535.45 g/mol
LogP7.38
Rot. Bonds6

About 1-[(3-bromophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole

1-[(3-bromophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole (PubChem CID 164614201) has the molecular formula C30H23BrN4O and a molecular weight of 535.45 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole
PubChem CID164614201
Molecular FormulaC30H23BrN4O
Molecular Weight535.45 g/mol
Exact Mass534.11
IUPAC Name1-[(3-bromophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3n2Cc2cccc(Br)c2)cc1
InChIInChI=1S/C30H23BrN4O/c1-36-25-16-14-22(15-17-25)29-26(20-35(33-29)24-10-3-2-4-11-24)30-32-27-12-5-6-13-28(27)34(30)19-21-8-7-9-23(31)18-21/h2-18,20H,19H2,1H3
InChIKeyPCCZJGNEUDYRQM-UHFFFAOYSA-N
XLogP7.38
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.45
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole
CID 17000494
2-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-1-prop-2-ynylbenzimidazole
CID 164615246
2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 17001152
1-but-3-en-2-yl-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole
CID 164624743
2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 4624826
1-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001698
4-(3-methoxyphenyl)-1,3-diphenylpyrazole
CID 166447646
2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 17001142
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 17004943
2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole
CID 16987217
2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 20930584

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole?
The IUPAC name of 1-[(3-bromophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole (CID 164614201) is 1-[(3-bromophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole is COc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3ccccc3n2Cc2cccc(Br)c2)cc1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole?
The InChIKey is PCCZJGNEUDYRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23BrN4O/c1-36-25-16-14-22(15-17-25)29-26(20-35(33-29)24-10-3-2-4-11-24)30-32-27-12-5-6-13-28(27)34(30)19-21-8-7-9-23(31)18-21/h2-18,20H,19H2,1H3.
What are the key properties of 1-[(3-bromophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole?
1-[(3-bromophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole has a molecular weight of 535.45 g/mol, XLogP of 7.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]benzimidazole is sourced from PubChem (CID 164614201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).