N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide

C22H26N4O2 — CID 17028969

IUPACN-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
SMILESCCCC(=O)NCc1nc2ccccc2n1CC(=O)Nc1ccccc1CC
InChIInChI=1S/C22H26N4O2/c1-3-9-21(27)23-14-20-24-18-12-7-8-13-19(18)26(20)15-22(28)25-17-11-6-5-10-16(17)4-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,23,27)(H,25,28)
InChIKeyISGLBNUVGFJTRD-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.65
Rot. Bonds8

About N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide

N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide (PubChem CID 17028969) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
PubChem CID17028969
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
SMILESCCCC(=O)NCc1nc2ccccc2n1CC(=O)Nc1ccccc1CC
InChIInChI=1S/C22H26N4O2/c1-3-9-21(27)23-14-20-24-18-12-7-8-13-19(18)26(20)15-22(28)25-17-11-6-5-10-16(17)4-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,23,27)(H,25,28)
InChIKeyISGLBNUVGFJTRD-UHFFFAOYSA-N
XLogP3.65
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
N-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028982
N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029165
N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028988
N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028956
N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968882
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866
3-[4-[2-(2-ethylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
CID 53129384
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide
CID 17030370
2-(2-cyclopropylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028774
N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968967
2-(2-ethylbenzimidazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 5023490

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide?
The IUPAC name of N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide (CID 17028969) is N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide?
The canonical SMILES for N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide is CCCC(=O)NCc1nc2ccccc2n1CC(=O)Nc1ccccc1CC.
What is the InChIKey of N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide?
The InChIKey is ISGLBNUVGFJTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-9-21(27)23-14-20-24-18-12-7-8-13-19(18)26(20)15-22(28)25-17-11-6-5-10-16(17)4-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,23,27)(H,25,28).
What are the key properties of N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide?
N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide has a molecular weight of 378.48 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide is sourced from PubChem (CID 17028969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).