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

C11H10ClN5O — CID 114184884

IUPAC7-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1CCc1ncon1
InChIInChI=1S/C11H10ClN5O/c12-7-2-1-3-8-10(7)17(11(13)15-8)5-4-9-14-6-18-16-9/h1-3,6H,4-5H2,(H2,13,15)
InChIKeyYTBOKAYIJWRONR-UHFFFAOYSA-N
MW263.69 g/mol
LogP1.90
Rot. Bonds3

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

7-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine (PubChem CID 114184884) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is 7-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name7-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
PubChem CID114184884
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name7-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
SMILESNc1nc2cccc(Cl)c2n1CCc1ncon1
InChIInChI=1S/C11H10ClN5O/c12-7-2-1-3-8-10(7)17(11(13)15-8)5-4-9-14-6-18-16-9/h1-3,6H,4-5H2,(H2,13,15)
InChIKeyYTBOKAYIJWRONR-UHFFFAOYSA-N
XLogP1.90
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106419701
7-chloro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406210
6-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406239
6-chloro-3-[2-(1,2,4-oxadiazol-3-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 106406257
3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol
CID 91671805
7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 55097622
3-(2-amino-7-chlorobenzimidazol-1-yl)propanoic acid
CID 84736897
7-chloro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
CID 106406055
5-methoxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406245
7-chloro-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763128
6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406282
N-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide
CID 43662133

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 7-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine (CID 114184884) is 7-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 7-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 7-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine is Nc1nc2cccc(Cl)c2n1CCc1ncon1.
What is the InChIKey of 7-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
The InChIKey is YTBOKAYIJWRONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O/c12-7-2-1-3-8-10(7)17(11(13)15-8)5-4-9-14-6-18-16-9/h1-3,6H,4-5H2,(H2,13,15).
What are the key properties of 7-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine?
7-chloro-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine has a molecular weight of 263.69 g/mol, XLogP of 1.90, 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-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 114184884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).