N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide

C23H28N4O3 — CID 17031119

IUPACN-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
SMILESCCCC(=O)NCCCc1nc2ccccc2n1CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C23H28N4O3/c1-3-7-22(28)24-15-6-10-21-26-19-8-4-5-9-20(19)27(21)16-23(29)25-17-11-13-18(30-2)14-12-17/h4-5,8-9,11-14H,3,6-7,10,15-16H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyFXGPNFISECRQGL-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.53
Rot. Bonds10

About N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide

N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide (PubChem CID 17031119) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide.

Molecular Properties

Compound NameN-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
PubChem CID17031119
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
SMILESCCCC(=O)NCCCc1nc2ccccc2n1CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C23H28N4O3/c1-3-7-22(28)24-15-6-10-21-26-19-8-4-5-9-20(19)27(21)16-23(29)25-17-11-13-18(30-2)14-12-17/h4-5,8-9,11-14H,3,6-7,10,15-16H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyFXGPNFISECRQGL-UHFFFAOYSA-N
XLogP3.53
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17031168
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-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 17031125
N-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide
CID 16981184
N-[3-[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031611
N-[[1-[2-(4-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028982
N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]-2-methylpropanamide
CID 17031053
N-butyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032573
N-[(4-methoxyphenyl)methyl]-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028685
N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981231
2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide
CID 16985520

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide?
The IUPAC name of N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide (CID 17031119) is N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide.
What is the SMILES notation for N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide?
The canonical SMILES for N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide is CCCC(=O)NCCCc1nc2ccccc2n1CC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide?
The InChIKey is FXGPNFISECRQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-3-7-22(28)24-15-6-10-21-26-19-8-4-5-9-20(19)27(21)16-23(29)25-17-11-13-18(30-2)14-12-17/h4-5,8-9,11-14H,3,6-7,10,15-16H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide?
N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide has a molecular weight of 408.50 g/mol, XLogP of 3.53, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide is sourced from PubChem (CID 17031119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).