5-bromo-1-[4-[(2-methylphenyl)methoxy]thiophen-2-yl]benzimidazole

C19H15BrN2OS — CID 141085656

IUPAC5-bromo-1-[4-[(2-methylphenyl)methoxy]thiophen-2-yl]benzimidazole
SMILESCc1ccccc1COc1csc(-n2cnc3cc(Br)ccc32)c1
InChIInChI=1S/C19H15BrN2OS/c1-13-4-2-3-5-14(13)10-23-16-9-19(24-11-16)22-12-21-17-8-15(20)6-7-18(17)22/h2-9,11-12H,10H2,1H3
InChIKeyCEIDPGBJGGKCFE-UHFFFAOYSA-N
MW399.31 g/mol
LogP5.74
Rot. Bonds4

About 5-bromo-1-[4-[(2-methylphenyl)methoxy]thiophen-2-yl]benzimidazole

5-bromo-1-[4-[(2-methylphenyl)methoxy]thiophen-2-yl]benzimidazole (PubChem CID 141085656) has the molecular formula C19H15BrN2OS and a molecular weight of 399.31 g/mol. Its IUPAC name is 5-bromo-1-[4-[(2-methylphenyl)methoxy]thiophen-2-yl]benzimidazole.

Molecular Properties

Compound Name5-bromo-1-[4-[(2-methylphenyl)methoxy]thiophen-2-yl]benzimidazole
PubChem CID141085656
Molecular FormulaC19H15BrN2OS
Molecular Weight399.31 g/mol
Exact Mass398.01
IUPAC Name5-bromo-1-[4-[(2-methylphenyl)methoxy]thiophen-2-yl]benzimidazole
SMILESCc1ccccc1COc1csc(-n2cnc3cc(Br)ccc32)c1
InChIInChI=1S/C19H15BrN2OS/c1-13-4-2-3-5-14(13)10-23-16-9-19(24-11-16)22-12-21-17-8-15(20)6-7-18(17)22/h2-9,11-12H,10H2,1H3
InChIKeyCEIDPGBJGGKCFE-UHFFFAOYSA-N
XLogP5.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.31
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-Benzimidazol-1-yl)-3-[(phenylmethyl)oxy]-2-thiophenecarbonitrile
CID 11709714
5-(1H-benzimidazol-1-yl)-3-[(2-methylbenzyl)oxy]-2-thiophenecarboxamide
CID 25263075
5-(1H-1,3-benzodiazol-1-yl)-3-[(2-bromophenyl)methoxy]thiophene-2-carboxamide
CID 25263083
5-(6-Bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxamide
CID 10458490
Methyl 5-(6-bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylate
CID 11720412
5-(6-Bromobenzimidazol-1-yl)-3-[[2-(trifluoromethyl)phenyl]methoxy]thiophene-2-carboxylic acid
CID 57431334
methyl 5-(6-bromobenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate
CID 57848954
methyl 5-(5-bromo-1H-benzimidazol-1-yl)-3-({(1R)-1-[2-(trifluoromethyl)phenyl]ethyl}oxy)thiophene-2-carboxylate
CID 59799454
3-[[(R)-alpha-Methyl-2-(trifluoromethyl)benzyl]oxy]-5-(5-bromo-1H-benzoimidazole-1-yl)thiophene-2-carboxamide
CID 59799458
methyl 5-(5-bromo-1H-benzimidazol-1-yl)-3-{[2-(trifluoromethyl)-benzyl]oxy}thiophene-2-carboxylate
CID 59855183
5-(6-bromobenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylic acid
CID 68468445
5-(5-bromobenzimidazol-1-yl)-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylic acid
CID 68698375

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[4-[(2-methylphenyl)methoxy]thiophen-2-yl]benzimidazole?
The IUPAC name of 5-bromo-1-[4-[(2-methylphenyl)methoxy]thiophen-2-yl]benzimidazole (CID 141085656) is 5-bromo-1-[4-[(2-methylphenyl)methoxy]thiophen-2-yl]benzimidazole.
What is the SMILES notation for 5-bromo-1-[4-[(2-methylphenyl)methoxy]thiophen-2-yl]benzimidazole?
The canonical SMILES for 5-bromo-1-[4-[(2-methylphenyl)methoxy]thiophen-2-yl]benzimidazole is Cc1ccccc1COc1csc(-n2cnc3cc(Br)ccc32)c1.
What is the InChIKey of 5-bromo-1-[4-[(2-methylphenyl)methoxy]thiophen-2-yl]benzimidazole?
The InChIKey is CEIDPGBJGGKCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2OS/c1-13-4-2-3-5-14(13)10-23-16-9-19(24-11-16)22-12-21-17-8-15(20)6-7-18(17)22/h2-9,11-12H,10H2,1H3.
What are the key properties of 5-bromo-1-[4-[(2-methylphenyl)methoxy]thiophen-2-yl]benzimidazole?
5-bromo-1-[4-[(2-methylphenyl)methoxy]thiophen-2-yl]benzimidazole has a molecular weight of 399.31 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[4-[(2-methylphenyl)methoxy]thiophen-2-yl]benzimidazole is sourced from PubChem (CID 141085656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).