3-(2-amino-4-chlorobenzimidazol-1-yl)-3-methylbutanamide

C12H15ClN4O — CID 106097537

IUPAC3-(2-amino-4-chlorobenzimidazol-1-yl)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)n1c(N)nc2c(Cl)cccc21
InChIInChI=1S/C12H15ClN4O/c1-12(2,6-9(14)18)17-8-5-3-4-7(13)10(8)16-11(17)15/h3-5H,6H2,1-2H3,(H2,14,18)(H2,15,16)
InChIKeyASSMJBZUCARQRM-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.88
Rot. Bonds3

About 3-(2-amino-4-chlorobenzimidazol-1-yl)-3-methylbutanamide

3-(2-amino-4-chlorobenzimidazol-1-yl)-3-methylbutanamide (PubChem CID 106097537) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-(2-amino-4-chlorobenzimidazol-1-yl)-3-methylbutanamide.

Molecular Properties

Compound Name3-(2-amino-4-chlorobenzimidazol-1-yl)-3-methylbutanamide
PubChem CID106097537
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name3-(2-amino-4-chlorobenzimidazol-1-yl)-3-methylbutanamide
SMILESCC(C)(CC(N)=O)n1c(N)nc2c(Cl)cccc21
InChIInChI=1S/C12H15ClN4O/c1-12(2,6-9(14)18)17-8-5-3-4-7(13)10(8)16-11(17)15/h3-5H,6H2,1-2H3,(H2,14,18)(H2,15,16)
InChIKeyASSMJBZUCARQRM-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-4-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

Related Compounds

3-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-3-methylbutanamide
CID 106097695
3-(2-amino-7-chlorobenzimidazol-1-yl)-3-methylbutanamide
CID 114143050
2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide
CID 104836765
3-[2-(chloromethyl)-4-fluorobenzimidazol-1-yl]-3-methylbutanamide
CID 106097646
1-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylbenzimidazole-4-carboxylic acid
CID 106097999
3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid
CID 84736899
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
CID 106900318
3-[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]-3-methylbutanamide
CID 106097692
2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide
CID 104837307
3-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]-3-methylbutanamide
CID 106097630
4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine
CID 106294645
4-chloro-2-(2-chloroethyl)-1-(2,4,4-trimethylpentan-2-yl)benzimidazole
CID 104837916

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-chlorobenzimidazol-1-yl)-3-methylbutanamide?
The IUPAC name of 3-(2-amino-4-chlorobenzimidazol-1-yl)-3-methylbutanamide (CID 106097537) is 3-(2-amino-4-chlorobenzimidazol-1-yl)-3-methylbutanamide.
What is the SMILES notation for 3-(2-amino-4-chlorobenzimidazol-1-yl)-3-methylbutanamide?
The canonical SMILES for 3-(2-amino-4-chlorobenzimidazol-1-yl)-3-methylbutanamide is CC(C)(CC(N)=O)n1c(N)nc2c(Cl)cccc21.
What is the InChIKey of 3-(2-amino-4-chlorobenzimidazol-1-yl)-3-methylbutanamide?
The InChIKey is ASSMJBZUCARQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-12(2,6-9(14)18)17-8-5-3-4-7(13)10(8)16-11(17)15/h3-5H,6H2,1-2H3,(H2,14,18)(H2,15,16).
What are the key properties of 3-(2-amino-4-chlorobenzimidazol-1-yl)-3-methylbutanamide?
3-(2-amino-4-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-4-chlorobenzimidazol-1-yl)-3-methylbutanamide is sourced from PubChem (CID 106097537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).