5-cyclopropyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole

C18H21N5O — CID 53041038

IUPAC5-cyclopropyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1noc(C3CC3)n1)ncn2CCN1CCCC1
InChIInChI=1S/C18H21N5O/c1-2-8-22(7-1)9-10-23-12-19-15-11-14(5-6-16(15)23)17-20-18(24-21-17)13-3-4-13/h5-6,11-13H,1-4,7-10H2
InChIKeyLHWZVAIRLBRUQX-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.06
Rot. Bonds5

About 5-cyclopropyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole

5-cyclopropyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole (PubChem CID 53041038) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-cyclopropyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole
PubChem CID53041038
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5-cyclopropyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole
SMILESc1cc2c(cc1-c1noc(C3CC3)n1)ncn2CCN1CCCC1
InChIInChI=1S/C18H21N5O/c1-2-8-22(7-1)9-10-23-12-19-15-11-14(5-6-16(15)23)17-20-18(24-21-17)13-3-4-13/h5-6,11-13H,1-4,7-10H2
InChIKeyLHWZVAIRLBRUQX-UHFFFAOYSA-N
XLogP3.06
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole (CID 53041038) is 5-cyclopropyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole is c1cc2c(cc1-c1noc(C3CC3)n1)ncn2CCN1CCCC1.
What is the InChIKey of 5-cyclopropyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is LHWZVAIRLBRUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-8-22(7-1)9-10-23-12-19-15-11-14(5-6-16(15)23)17-20-18(24-21-17)13-3-4-13/h5-6,11-13H,1-4,7-10H2.
What are the key properties of 5-cyclopropyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 323.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 53041038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).