1-(2-bromoprop-2-enyl)-2-propylbenzimidazole

C13H15BrN2 — CID 877715

IUPAC1-(2-bromoprop-2-enyl)-2-propylbenzimidazole
SMILESC=C(Br)Cn1c(CCC)nc2ccccc21
InChIInChI=1S/C13H15BrN2/c1-3-6-13-15-11-7-4-5-8-12(11)16(13)9-10(2)14/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyWCYAJOZTTRWQGL-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.90
Rot. Bonds4

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

1-(2-bromoprop-2-enyl)-2-propylbenzimidazole (PubChem CID 877715) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-2-propylbenzimidazole.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-2-propylbenzimidazole
PubChem CID877715
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name1-(2-bromoprop-2-enyl)-2-propylbenzimidazole
SMILESC=C(Br)Cn1c(CCC)nc2ccccc21
InChIInChI=1S/C13H15BrN2/c1-3-6-13-15-11-7-4-5-8-12(11)16(13)9-10(2)14/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyWCYAJOZTTRWQGL-UHFFFAOYSA-N
XLogP3.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.90
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-propylbenzimidazole?
The IUPAC name of 1-(2-bromoprop-2-enyl)-2-propylbenzimidazole (CID 877715) is 1-(2-bromoprop-2-enyl)-2-propylbenzimidazole.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-2-propylbenzimidazole?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-2-propylbenzimidazole is C=C(Br)Cn1c(CCC)nc2ccccc21.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-2-propylbenzimidazole?
The InChIKey is WCYAJOZTTRWQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-3-6-13-15-11-7-4-5-8-12(11)16(13)9-10(2)14/h4-5,7-8H,2-3,6,9H2,1H3.
What are the key properties of 1-(2-bromoprop-2-enyl)-2-propylbenzimidazole?
1-(2-bromoprop-2-enyl)-2-propylbenzimidazole has a molecular weight of 279.18 g/mol, XLogP of 3.90, 4 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-propylbenzimidazole is sourced from PubChem (CID 877715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).