3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide

C13H17BrN4O — CID 65345248

IUPAC3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C13H17BrN4O/c1-2-6-16-12(19)5-7-18-11-8-9(14)3-4-10(11)17-13(18)15/h3-4,8H,2,5-7H2,1H3,(H2,15,17)(H,16,19)
InChIKeyXLHIUVXCDOKUMF-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.30
Rot. Bonds5

About 3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide

3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide (PubChem CID 65345248) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide
PubChem CID65345248
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCn1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C13H17BrN4O/c1-2-6-16-12(19)5-7-18-11-8-9(14)3-4-10(11)17-13(18)15/h3-4,8H,2,5-7H2,1H3,(H2,15,17)(H,16,19)
InChIKeyXLHIUVXCDOKUMF-UHFFFAOYSA-N
XLogP2.30
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid
CID 84739102
2-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide
CID 65344760
3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide
CID 62506748
2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 65347169
2-(2-amino-5-bromobenzimidazol-1-yl)ethylurea
CID 83114870
3-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N-propylpropanamide
CID 62375851
6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
CID 65347072
N-[2-(2-aminobenzimidazol-1-yl)ethyl]propanamide
CID 91520184
3-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 65346418
2-amino-3-propylbenzimidazole-5-carboxylic acid
CID 84786648
6-bromo-1-(2-phenylethyl)benzimidazol-2-amine
CID 65346773
6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 80689130

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide?
The IUPAC name of 3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide (CID 65345248) is 3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide?
The canonical SMILES for 3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide is CCCNC(=O)CCn1c(N)nc2ccc(Br)cc21.
What is the InChIKey of 3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide?
The InChIKey is XLHIUVXCDOKUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-2-6-16-12(19)5-7-18-11-8-9(14)3-4-10(11)17-13(18)15/h3-4,8H,2,5-7H2,1H3,(H2,15,17)(H,16,19).
What are the key properties of 3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide?
3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide has a molecular weight of 325.21 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide is sourced from PubChem (CID 65345248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).