2-[2-(3-bromophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole

C19H19BrN2 — CID 4631571

IUPAC2-[2-(3-bromophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(C=Cc2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C19H19BrN2/c1-14(2)13-22-18-9-4-3-8-17(18)21-19(22)11-10-15-6-5-7-16(20)12-15/h3-12,14H,13H2,1-2H3
InChIKeyXNLDMNQKBZSUAQ-UHFFFAOYSA-N
MW355.28 g/mol
LogP5.63
Rot. Bonds4

About 2-[2-(3-bromophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole

2-[2-(3-bromophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole (PubChem CID 4631571) has the molecular formula C19H19BrN2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole
PubChem CID4631571
Molecular FormulaC19H19BrN2
Molecular Weight355.28 g/mol
Exact Mass354.07
IUPAC Name2-[2-(3-bromophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(C=Cc2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C19H19BrN2/c1-14(2)13-22-18-9-4-3-8-17(18)21-19(22)11-10-15-6-5-7-16(20)12-15/h3-12,14H,13H2,1-2H3
InChIKeyXNLDMNQKBZSUAQ-UHFFFAOYSA-N
XLogP5.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.28
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-(4-methylphenyl)ethenyl]-1-(2-methylpropyl)benzimidazole
CID 157188103
2-(4-bromophenyl)-1-(2-methylpropyl)benzimidazole
CID 17001122
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one
CID 20966922
[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride
CID 163331235
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 19242606
1-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593
1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
CID 63545927
2-[(E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorophenyl)sulfonylbenzimidazole
CID 46253296
2-(2-phenylethenyl)-1-propan-2-ylbenzimidazole
CID 3787775
1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999559

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole?
The IUPAC name of 2-[2-(3-bromophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole (CID 4631571) is 2-[2-(3-bromophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole.
What is the SMILES notation for 2-[2-(3-bromophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole?
The canonical SMILES for 2-[2-(3-bromophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole is CC(C)Cn1c(C=Cc2cccc(Br)c2)nc2ccccc21.
What is the InChIKey of 2-[2-(3-bromophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole?
The InChIKey is XNLDMNQKBZSUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2/c1-14(2)13-22-18-9-4-3-8-17(18)21-19(22)11-10-15-6-5-7-16(20)12-15/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-[2-(3-bromophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole?
2-[2-(3-bromophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole has a molecular weight of 355.28 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)ethenyl]-1-(2-methylpropyl)benzimidazole is sourced from PubChem (CID 4631571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).