1-(2-bromoprop-2-enyl)-2-(2-methylphenyl)benzimidazole

C17H15BrN2 — CID 17000598

IUPAC1-(2-bromoprop-2-enyl)-2-(2-methylphenyl)benzimidazole
SMILESC=C(Br)Cn1c(-c2ccccc2C)nc2ccccc21
InChIInChI=1S/C17H15BrN2/c1-12-7-3-4-8-14(12)17-19-15-9-5-6-10-16(15)20(17)11-13(2)18/h3-10H,2,11H2,1H3
InChIKeyXNSFJERBRZMFKI-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.92
Rot. Bonds3

About 1-(2-bromoprop-2-enyl)-2-(2-methylphenyl)benzimidazole

1-(2-bromoprop-2-enyl)-2-(2-methylphenyl)benzimidazole (PubChem CID 17000598) has the molecular formula C17H15BrN2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-2-(2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-2-(2-methylphenyl)benzimidazole
PubChem CID17000598
Molecular FormulaC17H15BrN2
Molecular Weight327.23 g/mol
Exact Mass326.04
IUPAC Name1-(2-bromoprop-2-enyl)-2-(2-methylphenyl)benzimidazole
SMILESC=C(Br)Cn1c(-c2ccccc2C)nc2ccccc21
InChIInChI=1S/C17H15BrN2/c1-12-7-3-4-8-14(12)17-19-15-9-5-6-10-16(15)20(17)11-13(2)18/h3-10H,2,11H2,1H3
InChIKeyXNSFJERBRZMFKI-UHFFFAOYSA-N
XLogP4.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole
CID 17000597
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
1-(2-bromoprop-2-enyl)-2-thiophen-2-ylbenzimidazole
CID 830206
N-(4-methylphenyl)-2-[2-(2-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032745
1-dodecyl-2-(2-methylphenyl)benzimidazole
CID 17000610
1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole
CID 17000601
[4-[[2-(2-methylphenyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150130
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
1-[(4-tert-butylphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000629
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one
CID 17003117
1-[(3,4-dichlorophenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 18879503
N-[2-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]acetamide
CID 16974140

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-2-(2-methylphenyl)benzimidazole?
The IUPAC name of 1-(2-bromoprop-2-enyl)-2-(2-methylphenyl)benzimidazole (CID 17000598) is 1-(2-bromoprop-2-enyl)-2-(2-methylphenyl)benzimidazole.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-2-(2-methylphenyl)benzimidazole?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-2-(2-methylphenyl)benzimidazole is C=C(Br)Cn1c(-c2ccccc2C)nc2ccccc21.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-2-(2-methylphenyl)benzimidazole?
The InChIKey is XNSFJERBRZMFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2/c1-12-7-3-4-8-14(12)17-19-15-9-5-6-10-16(15)20(17)11-13(2)18/h3-10H,2,11H2,1H3.
What are the key properties of 1-(2-bromoprop-2-enyl)-2-(2-methylphenyl)benzimidazole?
1-(2-bromoprop-2-enyl)-2-(2-methylphenyl)benzimidazole has a molecular weight of 327.23 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-2-(2-methylphenyl)benzimidazole is sourced from PubChem (CID 17000598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).