4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

C13H13N5O — CID 62807137

IUPAC4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCc1ccc2c(c1)nc(-c1nonc1N)n2C1CC1
InChIInChI=1S/C13H13N5O/c1-7-2-5-10-9(6-7)15-13(18(10)8-3-4-8)11-12(14)17-19-16-11/h2,5-6,8H,3-4H2,1H3,(H2,14,17)
InChIKeyMGGMWUWWQFZXOX-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.31
Rot. Bonds2

About 4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 62807137) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
PubChem CID62807137
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCc1ccc2c(c1)nc(-c1nonc1N)n2C1CC1
InChIInChI=1S/C13H13N5O/c1-7-2-5-10-9(6-7)15-13(18(10)8-3-4-8)11-12(14)17-19-16-11/h2,5-6,8H,3-4H2,1H3,(H2,14,17)
InChIKeyMGGMWUWWQFZXOX-UHFFFAOYSA-N
XLogP2.31
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (CID 62807137) is 4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is Cc1ccc2c(c1)nc(-c1nonc1N)n2C1CC1.
What is the InChIKey of 4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is MGGMWUWWQFZXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-7-2-5-10-9(6-7)15-13(18(10)8-3-4-8)11-12(14)17-19-16-11/h2,5-6,8H,3-4H2,1H3,(H2,14,17).
What are the key properties of 4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 255.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62807137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).