2-(5-bromopentoxy)-1-prop-1-en-2-ylbenzimidazole

C15H19BrN2O — CID 22643420

IUPAC2-(5-bromopentoxy)-1-prop-1-en-2-ylbenzimidazole
SMILESC=C(C)n1c(OCCCCCBr)nc2ccccc21
InChIInChI=1S/C15H19BrN2O/c1-12(2)18-14-9-5-4-8-13(14)17-15(18)19-11-7-3-6-10-16/h4-5,8-9H,1,3,6-7,10-11H2,2H3
InChIKeyCHMSTWOUSXLQJP-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.47
Rot. Bonds7

About 2-(5-bromopentoxy)-1-prop-1-en-2-ylbenzimidazole

2-(5-bromopentoxy)-1-prop-1-en-2-ylbenzimidazole (PubChem CID 22643420) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-(5-bromopentoxy)-1-prop-1-en-2-ylbenzimidazole.

Molecular Properties

Compound Name2-(5-bromopentoxy)-1-prop-1-en-2-ylbenzimidazole
PubChem CID22643420
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-(5-bromopentoxy)-1-prop-1-en-2-ylbenzimidazole
SMILESC=C(C)n1c(OCCCCCBr)nc2ccccc21
InChIInChI=1S/C15H19BrN2O/c1-12(2)18-14-9-5-4-8-13(14)17-15(18)19-11-7-3-6-10-16/h4-5,8-9H,1,3,6-7,10-11H2,2H3
InChIKeyCHMSTWOUSXLQJP-UHFFFAOYSA-N
XLogP4.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(1-prop-1-en-2-ylbenzimidazol-2-yl)oxypentan-1-ol
CID 22643415
2-pentoxy-1-prop-1-en-2-ylbenzimidazole
CID 142654038
1-(4-bromobutoxy)indole
CID 175976502
2-[1-(4-bromobutanoyl)benzimidazol-2-yl]acetonitrile
CID 593758
1-phenyl-2-propoxybenzimidazole
CID 67816622
2-butoxy-1-pyridin-4-ylbenzimidazole
CID 20535846
2-[2-(dimethylamino)ethoxy]-N-(2-phenylethyl)benzimidazole-1-carboxamide
CID 156708151
4-(5-bromopentoxy)quinazoline
CID 163216994
1-(2-diethylphosphanylbenzimidazol-1-yl)ethanone
CID 122452577
3-(6-bromohexoxy)prop-1-en-2-ylbenzene
CID 70184291
hexyl 1-methylbenzimidazole-2-carboxylate
CID 135058343
2-[1-(4-bromobutyl)benzimidazol-2-yl]acetonitrile
CID 63638973

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopentoxy)-1-prop-1-en-2-ylbenzimidazole?
The IUPAC name of 2-(5-bromopentoxy)-1-prop-1-en-2-ylbenzimidazole (CID 22643420) is 2-(5-bromopentoxy)-1-prop-1-en-2-ylbenzimidazole.
What is the SMILES notation for 2-(5-bromopentoxy)-1-prop-1-en-2-ylbenzimidazole?
The canonical SMILES for 2-(5-bromopentoxy)-1-prop-1-en-2-ylbenzimidazole is C=C(C)n1c(OCCCCCBr)nc2ccccc21.
What is the InChIKey of 2-(5-bromopentoxy)-1-prop-1-en-2-ylbenzimidazole?
The InChIKey is CHMSTWOUSXLQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-12(2)18-14-9-5-4-8-13(14)17-15(18)19-11-7-3-6-10-16/h4-5,8-9H,1,3,6-7,10-11H2,2H3.
What are the key properties of 2-(5-bromopentoxy)-1-prop-1-en-2-ylbenzimidazole?
2-(5-bromopentoxy)-1-prop-1-en-2-ylbenzimidazole has a molecular weight of 323.23 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopentoxy)-1-prop-1-en-2-ylbenzimidazole is sourced from PubChem (CID 22643420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).