N-(1-cyclohexylbenzimidazol-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

C22H29N5O2 — CID 55854386

IUPACN-(1-cyclohexylbenzimidazol-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)Nc2nc3ccccc3n2C2CCCCC2)n1
InChIInChI=1S/C22H29N5O2/c1-2-9-19-24-21(29-26-19)15-8-14-20(28)25-22-23-17-12-6-7-13-18(17)27(22)16-10-4-3-5-11-16/h6-7,12-13,16H,2-5,8-11,14-15H2,1H3,(H,23,25,28)
InChIKeyMJJNUVSXTPFPSZ-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.84
Rot. Bonds8

About N-(1-cyclohexylbenzimidazol-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

N-(1-cyclohexylbenzimidazol-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55854386) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(1-cyclohexylbenzimidazol-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(1-cyclohexylbenzimidazol-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID55854386
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-(1-cyclohexylbenzimidazol-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)Nc2nc3ccccc3n2C2CCCCC2)n1
InChIInChI=1S/C22H29N5O2/c1-2-9-19-24-21(29-26-19)15-8-14-20(28)25-22-23-17-12-6-7-13-18(17)27(22)16-10-4-3-5-11-16/h6-7,12-13,16H,2-5,8-11,14-15H2,1H3,(H,23,25,28)
InChIKeyMJJNUVSXTPFPSZ-UHFFFAOYSA-N
XLogP4.84
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylbenzimidazol-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-(1-cyclohexylbenzimidazol-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (CID 55854386) is N-(1-cyclohexylbenzimidazol-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-(1-cyclohexylbenzimidazol-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-(1-cyclohexylbenzimidazol-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is CCCc1noc(CCCC(=O)Nc2nc3ccccc3n2C2CCCCC2)n1.
What is the InChIKey of N-(1-cyclohexylbenzimidazol-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is MJJNUVSXTPFPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-2-9-19-24-21(29-26-19)15-8-14-20(28)25-22-23-17-12-6-7-13-18(17)27(22)16-10-4-3-5-11-16/h6-7,12-13,16H,2-5,8-11,14-15H2,1H3,(H,23,25,28).
What are the key properties of N-(1-cyclohexylbenzimidazol-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
N-(1-cyclohexylbenzimidazol-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 395.51 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylbenzimidazol-2-yl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55854386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).