N-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide

C22H26N4O2 — CID 17028982

IUPACN-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
SMILESCCCC(=O)NCc1nc2ccccc2n1CC(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C22H26N4O2/c1-3-7-21(27)23-14-20-25-18-8-5-6-9-19(18)26(20)15-22(28)24-17-12-10-16(4-2)11-13-17/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyXQFLTWWSCGQVIP-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.65
Rot. Bonds8

About N-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide

N-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide (PubChem CID 17028982) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
PubChem CID17028982
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
SMILESCCCC(=O)NCc1nc2ccccc2n1CC(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C22H26N4O2/c1-3-7-21(27)23-14-20-25-18-8-5-6-9-19(18)26(20)15-22(28)24-17-12-10-16(4-2)11-13-17/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyXQFLTWWSCGQVIP-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

N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028988
N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028969
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide
CID 17030370
N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030383
N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028956
N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030679
N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 17031119
N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17029032
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866
N-[[1-[2-(3-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028922
2-methyl-N-[[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029366
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide?
The IUPAC name of N-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide (CID 17028982) is N-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide?
The canonical SMILES for N-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide is CCCC(=O)NCc1nc2ccccc2n1CC(=O)Nc1ccc(CC)cc1.
What is the InChIKey of N-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide?
The InChIKey is XQFLTWWSCGQVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-7-21(27)23-14-20-25-18-8-5-6-9-19(18)26(20)15-22(28)24-17-12-10-16(4-2)11-13-17/h5-6,8-13H,3-4,7,14-15H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide?
N-[[1-[2-(4-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-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide is sourced from PubChem (CID 17028982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).