2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole

C13H16BrFN2 — CID 82332408

IUPAC2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole
SMILESCCCn1c(C(Br)CC)nc2cc(F)ccc21
InChIInChI=1S/C13H16BrFN2/c1-3-7-17-12-6-5-9(15)8-11(12)16-13(17)10(14)4-2/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyRBGKNFAIEIKALG-UHFFFAOYSA-N
MW299.19 g/mol
LogP4.43
Rot. Bonds4

About 2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole

2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole (PubChem CID 82332408) has the molecular formula C13H16BrFN2 and a molecular weight of 299.19 g/mol. Its IUPAC name is 2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole.

Molecular Properties

Compound Name2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole
PubChem CID82332408
Molecular FormulaC13H16BrFN2
Molecular Weight299.19 g/mol
Exact Mass298.05
IUPAC Name2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole
SMILESCCCn1c(C(Br)CC)nc2cc(F)ccc21
InChIInChI=1S/C13H16BrFN2/c1-3-7-17-12-6-5-9(15)8-11(12)16-13(17)10(14)4-2/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyRBGKNFAIEIKALG-UHFFFAOYSA-N
XLogP4.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-bromopropyl)-5-fluoro-1-prop-2-enylbenzimidazole
CID 82332407
1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine
CID 82331998
1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine
CID 82332092
5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine
CID 107811482
2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine
CID 65220782
2-(1-bromopropyl)-1-ethyl-5-methoxybenzimidazole
CID 82334579
1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine
CID 82310809
2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol
CID 82311726
2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427809
2-(diethoxymethyl)-6-fluoro-1-propylbenzimidazole
CID 63772335
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54920104

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole?
The IUPAC name of 2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole (CID 82332408) is 2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole.
What is the SMILES notation for 2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole?
The canonical SMILES for 2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole is CCCn1c(C(Br)CC)nc2cc(F)ccc21.
What is the InChIKey of 2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole?
The InChIKey is RBGKNFAIEIKALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2/c1-3-7-17-12-6-5-9(15)8-11(12)16-13(17)10(14)4-2/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of 2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole?
2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole has a molecular weight of 299.19 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole is sourced from PubChem (CID 82332408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).