1-(2-bromoprop-2-enyl)-2-butylbenzimidazole

C14H17BrN2 — CID 659544

IUPAC1-(2-bromoprop-2-enyl)-2-butylbenzimidazole
SMILESC=C(Br)Cn1c(CCCC)nc2ccccc21
InChIInChI=1S/C14H17BrN2/c1-3-4-9-14-16-12-7-5-6-8-13(12)17(14)10-11(2)15/h5-8H,2-4,9-10H2,1H3
InChIKeySXFJKUCNGXQRJM-UHFFFAOYSA-N
MW293.21 g/mol
LogP4.29
Rot. Bonds5

About 1-(2-bromoprop-2-enyl)-2-butylbenzimidazole

1-(2-bromoprop-2-enyl)-2-butylbenzimidazole (PubChem CID 659544) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-2-butylbenzimidazole.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-2-butylbenzimidazole
PubChem CID659544
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name1-(2-bromoprop-2-enyl)-2-butylbenzimidazole
SMILESC=C(Br)Cn1c(CCCC)nc2ccccc21
InChIInChI=1S/C14H17BrN2/c1-3-4-9-14-16-12-7-5-6-8-13(12)17(14)10-11(2)15/h5-8H,2-4,9-10H2,1H3
InChIKeySXFJKUCNGXQRJM-UHFFFAOYSA-N
XLogP4.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-2-butylbenzimidazole?
The IUPAC name of 1-(2-bromoprop-2-enyl)-2-butylbenzimidazole (CID 659544) is 1-(2-bromoprop-2-enyl)-2-butylbenzimidazole.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-2-butylbenzimidazole?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-2-butylbenzimidazole is C=C(Br)Cn1c(CCCC)nc2ccccc21.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-2-butylbenzimidazole?
The InChIKey is SXFJKUCNGXQRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-3-4-9-14-16-12-7-5-6-8-13(12)17(14)10-11(2)15/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 1-(2-bromoprop-2-enyl)-2-butylbenzimidazole?
1-(2-bromoprop-2-enyl)-2-butylbenzimidazole has a molecular weight of 293.21 g/mol, XLogP of 4.29, 5 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-butylbenzimidazole is sourced from PubChem (CID 659544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).