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

C16H15BrClN3 — CID 60785537

IUPAC5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline
SMILESCCCn1c(-c2ccc(Cl)c(N)c2)nc2cc(Br)ccc21
InChIInChI=1S/C16H15BrClN3/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
InChIKeyQSHFTISAHIEUPW-UHFFFAOYSA-N
MW364.67 g/mol
LogP5.11
Rot. Bonds3

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

5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline (PubChem CID 60785537) has the molecular formula C16H15BrClN3 and a molecular weight of 364.67 g/mol. Its IUPAC name is 5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline.

Molecular Properties

Compound Name5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline
PubChem CID60785537
Molecular FormulaC16H15BrClN3
Molecular Weight364.67 g/mol
Exact Mass363.01
IUPAC Name5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline
SMILESCCCn1c(-c2ccc(Cl)c(N)c2)nc2cc(Br)ccc21
InChIInChI=1S/C16H15BrClN3/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
InChIKeyQSHFTISAHIEUPW-UHFFFAOYSA-N
XLogP5.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.67
LogP ≤ 55.11
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

2-chloro-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 60785145
5-(5-bromo-1-propylbenzimidazol-2-yl)-2-fluoroaniline
CID 60835546
[4-(5-bromo-1-propylbenzimidazol-2-yl)phenyl]methanamine
CID 60785381
2-bromo-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 107812775
2-chloro-5-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
CID 60784511
3-(5-bromo-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 62946740
5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 60784700
2-(5-bromo-1-propylbenzimidazol-2-yl)benzene-1,3-diol
CID 136813268
3-(5-bromo-1-propylbenzimidazol-2-yl)benzene-1,2-diol
CID 136928249
3-chloro-2-(5-chloro-1-propylbenzimidazol-2-yl)aniline
CID 63724804
2-(5-bromo-1-ethylbenzimidazol-2-yl)-6-chloroaniline
CID 107049833
5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine
CID 107811482

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline?
The IUPAC name of 5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline (CID 60785537) is 5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline.
What is the SMILES notation for 5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline?
The canonical SMILES for 5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline is CCCn1c(-c2ccc(Cl)c(N)c2)nc2cc(Br)ccc21.
What is the InChIKey of 5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline?
The InChIKey is QSHFTISAHIEUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3/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-chloroaniline?
5-(5-bromo-1-propylbenzimidazol-2-yl)-2-chloroaniline has a molecular weight of 364.67 g/mol, XLogP of 5.11, 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-chloroaniline is sourced from PubChem (CID 60785537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).