7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine

C11H10ClN5O — CID 106406055

IUPAC7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
SMILESCc1nc(Cn2c(N)nc3cccc(Cl)c32)no1
InChIInChI=1S/C11H10ClN5O/c1-6-14-9(16-18-6)5-17-10-7(12)3-2-4-8(10)15-11(17)13/h2-4H,5H2,1H3,(H2,13,15)
InChIKeyLRNXAHJGPISLPL-UHFFFAOYSA-N
MW263.69 g/mol
LogP2.01
Rot. Bonds2

About 7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine

7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine (PubChem CID 106406055) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is 7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
PubChem CID106406055
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
SMILESCc1nc(Cn2c(N)nc3cccc(Cl)c32)no1
InChIInChI=1S/C11H10ClN5O/c1-6-14-9(16-18-6)5-17-10-7(12)3-2-4-8(10)15-11(17)13/h2-4H,5H2,1H3,(H2,13,15)
InChIKeyLRNXAHJGPISLPL-UHFFFAOYSA-N
XLogP2.01
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine 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 7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine (CID 106406055) is 7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine is Cc1nc(Cn2c(N)nc3cccc(Cl)c32)no1.
What is the InChIKey of 7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine?
The InChIKey is LRNXAHJGPISLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O/c1-6-14-9(16-18-6)5-17-10-7(12)3-2-4-8(10)15-11(17)13/h2-4H,5H2,1H3,(H2,13,15).
What are the key properties of 7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine?
7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine has a molecular weight of 263.69 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 106406055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).