N-[4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide

C20H18ClN5O2 — CID 3239208

IUPACN-[4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide
SMILESCCCCn1c(-c2nonc2NC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H18ClN5O2/c1-2-3-12-26-16-11-7-6-10-15(16)22-19(26)17-18(25-28-24-17)23-20(27)13-8-4-5-9-14(13)21/h4-11H,2-3,12H2,1H3,(H,23,25,27)
InChIKeyNSLBZDNWVDLYQI-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.79
Rot. Bonds6

About N-[4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide

N-[4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide (PubChem CID 3239208) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-[4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide
PubChem CID3239208
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC NameN-[4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide
SMILESCCCCn1c(-c2nonc2NC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H18ClN5O2/c1-2-3-12-26-16-11-7-6-10-15(16)22-19(26)17-18(25-28-24-17)23-20(27)13-8-4-5-9-14(13)21/h4-11H,2-3,12H2,1H3,(H,23,25,27)
InChIKeyNSLBZDNWVDLYQI-UHFFFAOYSA-N
XLogP4.79
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide 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

Lisavanbulin
CID 45259014
Avanbulin
CID 11176685
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-chloro-3-nitrobenzamide
CID 707837
(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
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-chlorobenzamide
CID 25110759
Ethyl 2-[2-[4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetate
CID 1043575
N-[4-(1-Benzyl-1H-benzoimidazol-2-yl)-furazan-3-yl]-acetamide
CID 3140709
(4-Chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 827837
4-chloro-N-(1,2-dimethyl-5-benzimidazolyl)benzamide
CID 949216
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide
CID 3159382
N-{2-[2-(acetylamino)ethyl]-1-methyl-1H-benzimidazol-5-yl}-2-chlorobenzamide
CID 4886625

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide?
The IUPAC name of N-[4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide (CID 3239208) is N-[4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide?
The canonical SMILES for N-[4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide is CCCCn1c(-c2nonc2NC(=O)c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of N-[4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide?
The InChIKey is NSLBZDNWVDLYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-2-3-12-26-16-11-7-6-10-15(16)22-19(26)17-18(25-28-24-17)23-20(27)13-8-4-5-9-14(13)21/h4-11H,2-3,12H2,1H3,(H,23,25,27).
What are the key properties of N-[4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide?
N-[4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide has a molecular weight of 395.85 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-butylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide is sourced from PubChem (CID 3239208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).