N-[4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide

C23H19N5O2 — CID 1139890

IUPACN-[4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide
SMILESCCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C23H19N5O2/c1-2-20(29)25-22-21(26-30-27-22)23-24-18-12-5-6-13-19(18)28(23)14-16-10-7-9-15-8-3-4-11-17(15)16/h3-13H,2,14H2,1H3,(H,25,27,29)
InChIKeyNDWUIZBWDDNPSM-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.64
Rot. Bonds5

About N-[4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide

N-[4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide (PubChem CID 1139890) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide
PubChem CID1139890
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC NameN-[4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide
SMILESCCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C23H19N5O2/c1-2-20(29)25-22-21(26-30-27-22)23-24-18-12-5-6-13-19(18)28(23)14-16-10-7-9-15-8-3-4-11-17(15)16/h3-13H,2,14H2,1H3,(H,25,27,29)
InChIKeyNDWUIZBWDDNPSM-UHFFFAOYSA-N
XLogP4.64
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide?
The IUPAC name of N-[4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide (CID 1139890) is N-[4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide.
What is the SMILES notation for N-[4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide?
The canonical SMILES for N-[4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide is CCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1cccc2ccccc12.
What is the InChIKey of N-[4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide?
The InChIKey is NDWUIZBWDDNPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-2-20(29)25-22-21(26-30-27-22)23-24-18-12-5-6-13-19(18)28(23)14-16-10-7-9-15-8-3-4-11-17(15)16/h3-13H,2,14H2,1H3,(H,25,27,29).
What are the key properties of N-[4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide?
N-[4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide has a molecular weight of 397.44 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide is sourced from PubChem (CID 1139890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).