5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline

C16H15BrFN3 — CID 60835546

IUPAC5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline
SMILESCCCn1c(-c2ccc(F)c(N)c2)nc2cc(Br)ccc21
InChIInChI=1S/C16H15BrFN3/c1-2-7-21-15-6-4-11(17)9-14(15)20-16(21)10-3-5-12(18)13(19)8-10/h3-6,8-9H,2,7,19H2,1H3
InChIKeySXCMZSALXRULDK-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.60
Rot. Bonds3

About 5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline

5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline (PubChem CID 60835546) has the molecular formula C16H15BrFN3 and a molecular weight of 348.22 g/mol. Its IUPAC name is 5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline.

Molecular Properties

Compound Name5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline
PubChem CID60835546
Molecular FormulaC16H15BrFN3
Molecular Weight348.22 g/mol
Exact Mass347.04
IUPAC Name5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline
SMILESCCCn1c(-c2ccc(F)c(N)c2)nc2cc(Br)ccc21
InChIInChI=1S/C16H15BrFN3/c1-2-7-21-15-6-4-11(17)9-14(15)20-16(21)10-3-5-12(18)13(19)8-10/h3-6,8-9H,2,7,19H2,1H3
InChIKeySXCMZSALXRULDK-UHFFFAOYSA-N
XLogP4.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline
CID 60785537
[4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine
CID 60785381
2-bromo-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 107812775
5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 60784700
5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-fluoroaniline
CID 60836884
3-(5-bromo-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 62946740
2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline
CID 63187871
2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 60785145
5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
CID 82332135
5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine
CID 107811482
3-(5-bromo-1-ethylbenzimidazol-2-yl)-4-fluoroaniline
CID 60837523
2-(5-bromo-1-propylbenzimidazol-2-yl)benzene-1,3-diol
CID 136813268

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline?
The IUPAC name of 5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline (CID 60835546) is 5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline.
What is the SMILES notation for 5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline?
The canonical SMILES for 5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline is CCCn1c(-c2ccc(F)c(N)c2)nc2cc(Br)ccc21.
What is the InChIKey of 5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline?
The InChIKey is SXCMZSALXRULDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3/c1-2-7-21-15-6-4-11(17)9-14(15)20-16(21)10-3-5-12(18)13(19)8-10/h3-6,8-9H,2,7,19H2,1H3.
What are the key properties of 5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline?
5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline has a molecular weight of 348.22 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline is sourced from PubChem (CID 60835546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).