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

C13H17BrN4O — CID 65344760

IUPAC2-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C13H17BrN4O/c1-3-6-16-12(19)8(2)18-11-7-9(14)4-5-10(11)17-13(18)15/h4-5,7-8H,3,6H2,1-2H3,(H2,15,17)(H,16,19)
InChIKeyMGVMMPXUOYAGOC-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.47
Rot. Bonds4

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

2-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide (PubChem CID 65344760) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide
PubChem CID65344760
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name2-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C13H17BrN4O/c1-3-6-16-12(19)8(2)18-11-7-9(14)4-5-10(11)17-13(18)15/h4-5,7-8H,3,6H2,1-2H3,(H2,15,17)(H,16,19)
InChIKeyMGVMMPXUOYAGOC-UHFFFAOYSA-N
XLogP2.47
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide
CID 65345248
2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide
CID 61480171
2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 65346044
2-(5-bromo-2-sulfanylidene-3H-benzimidazol-1-yl)-N-propylpropanamide
CID 61480288
2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide
CID 79306274
2-[6-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-propylpropanamide
CID 115471248
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide
CID 62594171
methyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate
CID 62377357
6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
CID 65347412
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide
CID 116738488
6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine
CID 65344571
2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]-N-propylpropanamide
CID 61478328

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide?
The IUPAC name of 2-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide (CID 65344760) is 2-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide?
The canonical SMILES for 2-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide is CCCNC(=O)C(C)n1c(N)nc2ccc(Br)cc21.
What is the InChIKey of 2-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide?
The InChIKey is MGVMMPXUOYAGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-3-6-16-12(19)8(2)18-11-7-9(14)4-5-10(11)17-13(18)15/h4-5,7-8H,3,6H2,1-2H3,(H2,15,17)(H,16,19).
What are the key properties of 2-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide?
2-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide has a molecular weight of 325.21 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide is sourced from PubChem (CID 65344760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).