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

C16H19N5O2 — CID 714168

IUPACN-[4-[1-(3-methylbutyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1-c1nc2ccccc2n1CCC(C)C
InChIInChI=1S/C16H19N5O2/c1-10(2)8-9-21-13-7-5-4-6-12(13)18-16(21)14-15(17-11(3)22)20-23-19-14/h4-7,10H,8-9H2,1-3H3,(H,17,20,22)
InChIKeyPVLGSTFKFFQNMN-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.09
Rot. Bonds5

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

N-[4-[1-(3-methylbutyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 714168) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[4-[1-(3-methylbutyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(3-methylbutyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID714168
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[4-[1-(3-methylbutyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1-c1nc2ccccc2n1CCC(C)C
InChIInChI=1S/C16H19N5O2/c1-10(2)8-9-21-13-7-5-4-6-12(13)18-16(21)14-15(17-11(3)22)20-23-19-14/h4-7,10H,8-9H2,1-3H3,(H,17,20,22)
InChIKeyPVLGSTFKFFQNMN-UHFFFAOYSA-N
XLogP3.09
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[4-(1-Methyl-1H-benzoimidazol-2-yl)-furazan-3-yl]-acetamide
CID 594201
N-(1-heptylbenzimidazol-2-yl)propanamide
CID 3844957
3-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]-1H-benzimidazol-2-one
CID 15956494
1-[[1-(2-Dimethylaminoethyl)benzimidazol-2-yl]methyl]-3-isopropenyl-benzimidazol-2-one
CID 15956495
1-[[1-[3-(Dimethylamino)propyl]benzimidazol-2-yl]methyl]-3-isopropenyl-benzimidazol-2-one
CID 15956498
N-((R)-2-((S)-2-(1H-benzo[d]imidazol-2-yl)pyrrolidine-1-carbonyl)hexyl)-N-hydroxyformamide
CID 16220165
4-(1-(Phenylmethyl)-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 561320
4-[1-(4-Methyl-benzyl)-1H-benzoimidazol-2-yl]-furazan-3-ylamine
CID 571349
2-[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 628691

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-methylbutyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of N-[4-[1-(3-methylbutyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide (CID 714168) is N-[4-[1-(3-methylbutyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-[4-[1-(3-methylbutyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-[4-[1-(3-methylbutyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide is CC(=O)Nc1nonc1-c1nc2ccccc2n1CCC(C)C.
What is the InChIKey of N-[4-[1-(3-methylbutyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is PVLGSTFKFFQNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10(2)8-9-21-13-7-5-4-6-12(13)18-16(21)14-15(17-11(3)22)20-23-19-14/h4-7,10H,8-9H2,1-3H3,(H,17,20,22).
What are the key properties of N-[4-[1-(3-methylbutyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
N-[4-[1-(3-methylbutyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 313.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-methylbutyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 714168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).