4-butoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide

C25H30N4O3 — CID 51127611

IUPAC4-butoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)N2CCCC2c2nc3ccccc3n2C)cc1
InChIInChI=1S/C25H30N4O3/c1-3-4-16-32-19-13-11-18(12-14-19)25(31)26-17-23(30)29-15-7-10-22(29)24-27-20-8-5-6-9-21(20)28(24)2/h5-6,8-9,11-14,22H,3-4,7,10,15-17H2,1-2H3,(H,26,31)
InChIKeyNVADDKYMGHMQET-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.85
Rot. Bonds8

About 4-butoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide

4-butoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 51127611) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-butoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
PubChem CID51127611
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name4-butoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)N2CCCC2c2nc3ccccc3n2C)cc1
InChIInChI=1S/C25H30N4O3/c1-3-4-16-32-19-13-11-18(12-14-19)25(31)26-17-23(30)29-15-7-10-22(29)24-27-20-8-5-6-9-21(20)28(24)2/h5-6,8-9,11-14,22H,3-4,7,10,15-17H2,1-2H3,(H,26,31)
InChIKeyNVADDKYMGHMQET-UHFFFAOYSA-N
XLogP3.85
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-butoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555
1-[(2R)-2-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92735816
1-[(2S)-2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92735851
1-[(2S)-2-(1-pentylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92721055
1-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 46264733
1-[(2R)-2-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92735897
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 125123416
1-[(2S)-2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92735916
1-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 46264748
1-[(2S)-2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92735900
1-[(2S)-2-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 39115804
[(1S,2R)-2-ethoxycyclopropyl]-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124808785

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide (CID 51127611) is 4-butoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)N2CCCC2c2nc3ccccc3n2C)cc1.
What is the InChIKey of 4-butoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is NVADDKYMGHMQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-3-4-16-32-19-13-11-18(12-14-19)25(31)26-17-23(30)29-15-7-10-22(29)24-27-20-8-5-6-9-21(20)28(24)2/h5-6,8-9,11-14,22H,3-4,7,10,15-17H2,1-2H3,(H,26,31).
What are the key properties of 4-butoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide?
4-butoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 434.54 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 51127611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).