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

C12H13N5O — CID 106406197

IUPAC4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
SMILESCc1cccc2c1nc(N)n2CCc1ncno1
InChIInChI=1S/C12H13N5O/c1-8-3-2-4-9-11(8)16-12(13)17(9)6-5-10-14-7-15-18-10/h2-4,7H,5-6H2,1H3,(H2,13,16)
InChIKeyYAEFPVUMOPDBGZ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.55
Rot. Bonds3

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

4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine (PubChem CID 106406197) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
PubChem CID106406197
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
SMILESCc1cccc2c1nc(N)n2CCc1ncno1
InChIInChI=1S/C12H13N5O/c1-8-3-2-4-9-11(8)16-12(13)17(9)6-5-10-14-7-15-18-10/h2-4,7H,5-6H2,1H3,(H2,13,16)
InChIKeyYAEFPVUMOPDBGZ-UHFFFAOYSA-N
XLogP1.55
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methylsulfonyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406173
7-chloro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406210
1-ethyl-3-methyl-6-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 106406156
4-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 106419832
1-[2-(diethylamino)ethyl]-4-methylbenzimidazol-2-amine
CID 114041636
4-methyl-1-(4-methylsulfanylbutyl)benzimidazol-2-amine
CID 114041696
5-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407212
1,4-dimethylbenzimidazol-2-amine;dihydrochloride
CID 174932005
5-[2-[2-(chloromethyl)-4-ethoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407105
5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406219
6-chloro-5-fluoro-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406198
6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406214

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine (CID 106406197) is 4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine is Cc1cccc2c1nc(N)n2CCc1ncno1.
What is the InChIKey of 4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
The InChIKey is YAEFPVUMOPDBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-8-3-2-4-9-11(8)16-12(13)17(9)6-5-10-14-7-15-18-10/h2-4,7H,5-6H2,1H3,(H2,13,16).
What are the key properties of 4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine?
4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine has a molecular weight of 243.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 106406197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).