1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol

C11H14ClN3O — CID 127053654

IUPAC1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClN3O/c1-11(2,16)6-15-9-5-7(12)3-4-8(9)14-10(15)13/h3-5,16H,6H2,1-2H3,(H2,13,14)
InChIKeyOSXIVUKUZDTAPI-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.04
Rot. Bonds2

About 1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol

1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol (PubChem CID 127053654) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
PubChem CID127053654
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C11H14ClN3O/c1-11(2,16)6-15-9-5-7(12)3-4-8(9)14-10(15)13/h3-5,16H,6H2,1-2H3,(H2,13,14)
InChIKeyOSXIVUKUZDTAPI-UHFFFAOYSA-N
XLogP2.04
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol 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

1-(2-amino-5-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
CID 127053647
2-amino-3-(2-hydroxy-2-methylpropyl)benzimidazole-5-carbaldehyde
CID 139447620
2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid
CID 84735746
6-chloro-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine
CID 115470720
6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine
CID 115470651
1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 113316328
6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106375087
6-chloro-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
CID 115470581
6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine
CID 115470600
6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 115470703
6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 115470557
6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine
CID 107816969

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol (CID 127053654) is 1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol is CC(C)(O)Cn1c(N)nc2ccc(Cl)cc21.
What is the InChIKey of 1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol?
The InChIKey is OSXIVUKUZDTAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-11(2,16)6-15-9-5-7(12)3-4-8(9)14-10(15)13/h3-5,16H,6H2,1-2H3,(H2,13,14).
What are the key properties of 1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol?
1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol has a molecular weight of 239.71 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 127053654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).