4-(1-propan-2-ylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

C12H13N5O — CID 684961

IUPAC4-(1-propan-2-ylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCC(C)n1c(-c2nonc2N)nc2ccccc21
InChIInChI=1S/C12H13N5O/c1-7(2)17-9-6-4-3-5-8(9)14-12(17)10-11(13)16-18-15-10/h3-7H,1-2H3,(H2,13,16)
InChIKeyOOQLAKYHQPZMKP-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.25
Rot. Bonds2

About 4-(1-propan-2-ylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

4-(1-propan-2-ylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 684961) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-(1-propan-2-ylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(1-propan-2-ylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
PubChem CID684961
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name4-(1-propan-2-ylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCC(C)n1c(-c2nonc2N)nc2ccccc21
InChIInChI=1S/C12H13N5O/c1-7(2)17-9-6-4-3-5-8(9)14-12(17)10-11(13)16-18-15-10/h3-7H,1-2H3,(H2,13,16)
InChIKeyOOQLAKYHQPZMKP-UHFFFAOYSA-N
XLogP2.25
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
Benzimidazole-2-carboxaldehyde, 1-methyl-, oxime
CID 135531459
2-Amino-1-methylbenzimidazole
CID 74187
4-[1-(Cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 607858
4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 599038
1,2-Dimethylbenzimidazole
CID 312693
4-(1-Methyl-1H-benzoimidazol-2-yl)-furazan-3-ylamine
CID 753058
1H-Benzimidazolium, 1,2,3-trimethyl-, iodide (1:1)
CID 199168
1-Methyl-2-nitro-1H-benzimidazole
CID 145807
1-Ethyl-2-methylbenzimidazole
CID 22054
1-propyl-1H-1,3-benzodiazol-2-amine
CID 799602
4-(1-methyl-1H-imidazo(4,5-c)pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 11680113

Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-ylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(1-propan-2-ylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (CID 684961) is 4-(1-propan-2-ylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(1-propan-2-ylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(1-propan-2-ylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is CC(C)n1c(-c2nonc2N)nc2ccccc21.
What is the InChIKey of 4-(1-propan-2-ylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is OOQLAKYHQPZMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-7(2)17-9-6-4-3-5-8(9)14-12(17)10-11(13)16-18-15-10/h3-7H,1-2H3,(H2,13,16).
What are the key properties of 4-(1-propan-2-ylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
4-(1-propan-2-ylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 243.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-ylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 684961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).