3-(2-amino-7-chlorobenzimidazol-1-yl)-3-methylbutanamide

C12H15ClN4O — CID 114143050

IUPAC3-(2-amino-7-chlorobenzimidazol-1-yl)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)n1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C12H15ClN4O/c1-12(2,6-9(14)18)17-10-7(13)4-3-5-8(10)16-11(17)15/h3-5H,6H2,1-2H3,(H2,14,18)(H2,15,16)
InChIKeyMUABKDFBQLDHQJ-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.88
Rot. Bonds3

About 3-(2-amino-7-chlorobenzimidazol-1-yl)-3-methylbutanamide

3-(2-amino-7-chlorobenzimidazol-1-yl)-3-methylbutanamide (PubChem CID 114143050) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-(2-amino-7-chlorobenzimidazol-1-yl)-3-methylbutanamide.

Molecular Properties

Compound Name3-(2-amino-7-chlorobenzimidazol-1-yl)-3-methylbutanamide
PubChem CID114143050
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name3-(2-amino-7-chlorobenzimidazol-1-yl)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)n1c(N)nc2cccc(Cl)c21
InChIInChI=1S/C12H15ClN4O/c1-12(2,6-9(14)18)17-10-7(13)4-3-5-8(10)16-11(17)15/h3-5H,6H2,1-2H3,(H2,14,18)(H2,15,16)
InChIKeyMUABKDFBQLDHQJ-UHFFFAOYSA-N
XLogP1.88
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-amino-7-chlorobenzimidazol-1-yl)-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-7-chlorobenzimidazol-1-yl)-3-methylbutanamide?
The IUPAC name of 3-(2-amino-7-chlorobenzimidazol-1-yl)-3-methylbutanamide (CID 114143050) is 3-(2-amino-7-chlorobenzimidazol-1-yl)-3-methylbutanamide.
What is the SMILES notation for 3-(2-amino-7-chlorobenzimidazol-1-yl)-3-methylbutanamide?
The canonical SMILES for 3-(2-amino-7-chlorobenzimidazol-1-yl)-3-methylbutanamide is CC(C)(CC(N)=O)n1c(N)nc2cccc(Cl)c21.
What is the InChIKey of 3-(2-amino-7-chlorobenzimidazol-1-yl)-3-methylbutanamide?
The InChIKey is MUABKDFBQLDHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-12(2,6-9(14)18)17-10-7(13)4-3-5-8(10)16-11(17)15/h3-5H,6H2,1-2H3,(H2,14,18)(H2,15,16).
What are the key properties of 3-(2-amino-7-chlorobenzimidazol-1-yl)-3-methylbutanamide?
3-(2-amino-7-chlorobenzimidazol-1-yl)-3-methylbutanamide has a molecular weight of 266.73 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-7-chlorobenzimidazol-1-yl)-3-methylbutanamide is sourced from PubChem (CID 114143050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).