2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide

C11H13BrN4O — CID 65347169

IUPAC2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C11H13BrN4O/c1-15(2)10(17)6-16-9-5-7(12)3-4-8(9)14-11(16)13/h3-5H,6H2,1-2H3,(H2,13,14)
InChIKeyKYITUWTZJCEKDA-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.47
Rot. Bonds2

About 2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide

2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide (PubChem CID 65347169) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide
PubChem CID65347169
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(N)nc2ccc(Br)cc21
InChIInChI=1S/C11H13BrN4O/c1-15(2)10(17)6-16-9-5-7(12)3-4-8(9)14-11(16)13/h3-5H,6H2,1-2H3,(H2,13,14)
InChIKeyKYITUWTZJCEKDA-UHFFFAOYSA-N
XLogP1.47
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylacetamide
CID 65345135
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 116738123
6-bromo-1-[2-(dimethylamino)propyl]benzimidazol-2-amine
CID 65344571
3-(2-amino-6-bromobenzimidazol-1-yl)propanoic acid
CID 84739102
3-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide
CID 65345248
6-bromo-1-[2-[2-methoxyethyl(methyl)amino]ethyl]benzimidazol-2-amine
CID 65344674
2-(6-bromo-2-methylbenzimidazol-1-yl)acetic acid
CID 84808508
6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
CID 65347072
6-bromo-1-(2-phenylethyl)benzimidazol-2-amine
CID 65346773
N-[1-(2-amino-6-bromobenzimidazol-1-yl)-2-methylpropan-2-yl]methanesulfonamide
CID 65344577
6-bromo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 80689130
6-bromo-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-2-amine
CID 65344818

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide (CID 65347169) is 2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1c(N)nc2ccc(Br)cc21.
What is the InChIKey of 2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide?
The InChIKey is KYITUWTZJCEKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-15(2)10(17)6-16-9-5-7(12)3-4-8(9)14-11(16)13/h3-5H,6H2,1-2H3,(H2,13,14).
What are the key properties of 2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide?
2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide has a molecular weight of 297.16 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 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,N-dimethylacetamide is sourced from PubChem (CID 65347169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).