N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide

C22H23N5O2 — CID 24549115

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCn1c(CNC(=O)CCCc2nc(-c3ccccc3)no2)nc2ccccc21
InChIInChI=1S/C22H23N5O2/c1-2-27-18-12-7-6-11-17(18)24-19(27)15-23-20(28)13-8-14-21-25-22(26-29-21)16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,23,28)
InChIKeyMNHAYCUXQGWJOS-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.75
Rot. Bonds8

About N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 24549115) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID24549115
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCn1c(CNC(=O)CCCc2nc(-c3ccccc3)no2)nc2ccccc21
InChIInChI=1S/C22H23N5O2/c1-2-27-18-12-7-6-11-17(18)24-19(27)15-23-20(28)13-8-14-21-25-22(26-29-21)16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,23,28)
InChIKeyMNHAYCUXQGWJOS-UHFFFAOYSA-N
XLogP3.75
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-phenylethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 17101225
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 110323289
3-(1,3-benzodioxol-5-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide
CID 51277028
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 24640199
1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide
CID 24532442
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 51312739
N-[(5-ethylthiophen-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 46466275
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866
2-(2,6-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116699
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 55494091

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide (CID 24549115) is N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide is CCn1c(CNC(=O)CCCc2nc(-c3ccccc3)no2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is MNHAYCUXQGWJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-2-27-18-12-7-6-11-17(18)24-19(27)15-23-20(28)13-8-14-21-25-22(26-29-21)16-9-4-3-5-10-16/h3-7,9-12H,2,8,13-15H2,1H3,(H,23,28).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 389.46 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 24549115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).