2-bromo-5-methyl-1-propylbenzimidazole

C11H13BrN2 — CID 84804393

IUPAC2-bromo-5-methyl-1-propylbenzimidazole
SMILESCCCn1c(Br)nc2cc(C)ccc21
InChIInChI=1S/C11H13BrN2/c1-3-6-14-10-5-4-8(2)7-9(10)13-11(14)12/h4-5,7H,3,6H2,1-2H3
InChIKeyJGUKWMRUMXPDKN-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.52
Rot. Bonds2

About 2-bromo-5-methyl-1-propylbenzimidazole

2-bromo-5-methyl-1-propylbenzimidazole (PubChem CID 84804393) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 2-bromo-5-methyl-1-propylbenzimidazole.

Molecular Properties

Compound Name2-bromo-5-methyl-1-propylbenzimidazole
PubChem CID84804393
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name2-bromo-5-methyl-1-propylbenzimidazole
SMILESCCCn1c(Br)nc2cc(C)ccc21
InChIInChI=1S/C11H13BrN2/c1-3-6-14-10-5-4-8(2)7-9(10)13-11(14)12/h4-5,7H,3,6H2,1-2H3
InChIKeyJGUKWMRUMXPDKN-UHFFFAOYSA-N
XLogP3.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-ethyl-5-methylbenzimidazole
CID 84799459
2-bromo-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 107812775
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
4-bromo-3-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 115296231
N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 104698494
2-(5-methyl-1-propylbenzimidazol-2-yl)butan-1-amine
CID 65221305
2-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)ethanol
CID 66165447
3-amino-1-(5-methyl-1-propylbenzimidazol-2-yl)propan-1-ol
CID 107835397
ethyl 5-methyl-1-propylbenzimidazole-2-carboxylate
CID 55189984
4-[(5-methyl-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60784514
N-hydroxy-4-[(5-methyl-1-propylbenzimidazol-2-yl)amino]benzamide
CID 91225825

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-1-propylbenzimidazole?
The IUPAC name of 2-bromo-5-methyl-1-propylbenzimidazole (CID 84804393) is 2-bromo-5-methyl-1-propylbenzimidazole.
What is the SMILES notation for 2-bromo-5-methyl-1-propylbenzimidazole?
The canonical SMILES for 2-bromo-5-methyl-1-propylbenzimidazole is CCCn1c(Br)nc2cc(C)ccc21.
What is the InChIKey of 2-bromo-5-methyl-1-propylbenzimidazole?
The InChIKey is JGUKWMRUMXPDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-3-6-14-10-5-4-8(2)7-9(10)13-11(14)12/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 2-bromo-5-methyl-1-propylbenzimidazole?
2-bromo-5-methyl-1-propylbenzimidazole has a molecular weight of 253.14 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-1-propylbenzimidazole is sourced from PubChem (CID 84804393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).