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

C12H12ClN5O — CID 106419701

IUPAC7-chloro-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
SMILESCc1nc(CCn2c(N)nc3cccc(Cl)c32)no1
InChIInChI=1S/C12H12ClN5O/c1-7-15-10(17-19-7)5-6-18-11-8(13)3-2-4-9(11)16-12(18)14/h2-4H,5-6H2,1H3,(H2,14,16)
InChIKeyUKVKAVYRDFNHQC-UHFFFAOYSA-N
MW277.72 g/mol
LogP2.21
Rot. Bonds3

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

7-chloro-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine (PubChem CID 106419701) has the molecular formula C12H12ClN5O and a molecular weight of 277.72 g/mol. Its IUPAC name is 7-chloro-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
PubChem CID106419701
Molecular FormulaC12H12ClN5O
Molecular Weight277.72 g/mol
Exact Mass277.07
IUPAC Name7-chloro-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
SMILESCc1nc(CCn2c(N)nc3cccc(Cl)c32)no1
InChIInChI=1S/C12H12ClN5O/c1-7-15-10(17-19-7)5-6-18-11-8(13)3-2-4-9(11)16-12(18)14/h2-4H,5-6H2,1H3,(H2,14,16)
InChIKeyUKVKAVYRDFNHQC-UHFFFAOYSA-N
XLogP2.21
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine (CID 106419701) is 7-chloro-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine is Cc1nc(CCn2c(N)nc3cccc(Cl)c32)no1.
What is the InChIKey of 7-chloro-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
The InChIKey is UKVKAVYRDFNHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O/c1-7-15-10(17-19-7)5-6-18-11-8(13)3-2-4-9(11)16-12(18)14/h2-4H,5-6H2,1H3,(H2,14,16).
What are the key properties of 7-chloro-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
7-chloro-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine has a molecular weight of 277.72 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 106419701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).