N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide

C18H15N5O2 — CID 3140709

IUPACN-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C18H15N5O2/c1-12(24)19-17-16(21-25-22-17)18-20-14-9-5-6-10-15(14)23(18)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,22,24)
InChIKeyXKXKLQUEFACDDZ-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.09
Rot. Bonds4

About N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide

N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 3140709) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID3140709
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C18H15N5O2/c1-12(24)19-17-16(21-25-22-17)18-20-14-9-5-6-10-15(14)23(18)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,22,24)
InChIKeyXKXKLQUEFACDDZ-UHFFFAOYSA-N
XLogP3.09
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pracinostat
CID 49855250
Lisavanbulin
CID 45259014
3-(1-(2-(diethylamino)ethyl)-2-phenethyl-1H-benzo[d]imidazol-5-yl)-N-hydroxyacrylamide
CID 6918876
N-hydroxy-3-[2-phenethyl-1-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-5-yl]acrylamide
CID 6918877
4-[1-(Cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 607858
4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 599038
4-(1-Methyl-1H-benzoimidazol-2-yl)-furazan-3-ylamine
CID 753058
N-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propanamide
CID 658262
(3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-1,3-benzodiazol-1-yl)methyl]benzene}pyrrolidine-3,4-dicarboxamide
CID 10135184
(3S,4S)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzene)pyrrolidine-3,4-dicarboxamide
CID 10295733
8-(1~{H}-benzimidazol-2-ylmethyl)-3-ethyl-7-(phenylmethyl)purine-2,6-dione
CID 134262452
N-[(1S)-3-[(1S,5R)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenyl-propyl]cyclobutanecarboxamide
CID 11503459

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide (CID 3140709) is N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide is CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is XKXKLQUEFACDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-12(24)19-17-16(21-25-22-17)18-20-14-9-5-6-10-15(14)23(18)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,22,24).
What are the key properties of N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 333.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 3140709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).