N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C23H27N7O2 — CID 55623468

IUPACN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCN(CC)CCn1c(NC(=O)CCc2nc(-c3cccnc3)no2)nc2ccccc21
InChIInChI=1S/C23H27N7O2/c1-3-29(4-2)14-15-30-19-10-6-5-9-18(19)25-23(30)26-20(31)11-12-21-27-22(28-32-21)17-8-7-13-24-16-17/h5-10,13,16H,3-4,11-12,14-15H2,1-2H3,(H,25,26,31)
InChIKeyBVVJJTBKBODHCS-UHFFFAOYSA-N
MW433.52 g/mol
LogP3.39
Rot. Bonds10

About N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55623468) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55623468
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCN(CC)CCn1c(NC(=O)CCc2nc(-c3cccnc3)no2)nc2ccccc21
InChIInChI=1S/C23H27N7O2/c1-3-29(4-2)14-15-30-19-10-6-5-9-18(19)25-23(30)26-20(31)11-12-21-27-22(28-32-21)17-8-7-13-24-16-17/h5-10,13,16H,3-4,11-12,14-15H2,1-2H3,(H,25,26,31)
InChIKeyBVVJJTBKBODHCS-UHFFFAOYSA-N
XLogP3.39
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-propylbenzimidazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17492735
N-(2,5-dimethylpyrazol-3-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46472839
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 52548576
N-(2-ethylsulfonylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55624880
N-(4-acetylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 16765512
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
N-[4-(methylcarbamoylamino)phenyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55626773
N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 53047532
N-(2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55763749
2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482801
4-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 51233758
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55623468) is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CCN(CC)CCn1c(NC(=O)CCc2nc(-c3cccnc3)no2)nc2ccccc21.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is BVVJJTBKBODHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-3-29(4-2)14-15-30-19-10-6-5-9-18(19)25-23(30)26-20(31)11-12-21-27-22(28-32-21)17-8-7-13-24-16-17/h5-10,13,16H,3-4,11-12,14-15H2,1-2H3,(H,25,26,31).
What are the key properties of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 433.52 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55623468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).