4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide

C20H22N4O2 — CID 17486518

IUPAC4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1
InChIInChI=1S/C20H22N4O2/c1-15(25)22-13-16-7-9-17(10-8-16)20(26)21-11-4-12-24-14-23-18-5-2-3-6-19(18)24/h2-3,5-10,14H,4,11-13H2,1H3,(H,21,26)(H,22,25)
InChIKeyRJXKAJRLDHHIJY-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.49
Rot. Bonds7

About 4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide

4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide (PubChem CID 17486518) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide
PubChem CID17486518
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1
InChIInChI=1S/C20H22N4O2/c1-15(25)22-13-16-7-9-17(10-8-16)20(26)21-11-4-12-24-14-23-18-5-2-3-6-19(18)24/h2-3,5-10,14H,4,11-13H2,1H3,(H,21,26)(H,22,25)
InChIKeyRJXKAJRLDHHIJY-UHFFFAOYSA-N
XLogP2.49
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(benzimidazol-1-yl)propyl]-4-methylsulfonylbenzamide
CID 51221971
N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide
CID 17499528
N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide
CID 51222006
N-[3-(benzimidazol-1-yl)propyl]-3-bromo-4-methoxybenzamide
CID 40718918
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 55407936
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592
N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide
CID 51221897
1-[3-(benzimidazol-1-yl)propyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 51291145
N-[3-(benzimidazol-1-yl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51222022
1-[3-(benzimidazol-1-yl)propyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51291154

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide (CID 17486518) is 4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide is CC(=O)NCc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide?
The InChIKey is RJXKAJRLDHHIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15(25)22-13-16-7-9-17(10-8-16)20(26)21-11-4-12-24-14-23-18-5-2-3-6-19(18)24/h2-3,5-10,14H,4,11-13H2,1H3,(H,21,26)(H,22,25).
What are the key properties of 4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide?
4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide is sourced from PubChem (CID 17486518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).