N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide

C25H25N3O — CID 16984267

IUPACN-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCc2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C25H25N3O/c1-19-13-15-21(16-14-19)25(29)26-17-7-12-24-27-22-10-5-6-11-23(22)28(24)18-20-8-3-2-4-9-20/h2-6,8-11,13-16H,7,12,17-18H2,1H3,(H,26,29)
InChIKeyBEMFEOWDDCXUNB-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.76
Rot. Bonds7

About N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide

N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide (PubChem CID 16984267) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide
PubChem CID16984267
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC NameN-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCc2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C25H25N3O/c1-19-13-15-21(16-14-19)25(29)26-17-7-12-24-27-22-10-5-6-11-23(22)28(24)18-20-8-3-2-4-9-20/h2-6,8-11,13-16H,7,12,17-18H2,1H3,(H,26,29)
InChIKeyBEMFEOWDDCXUNB-UHFFFAOYSA-N
XLogP4.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984294
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984277
4-bromo-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991580
N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991895
4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754980
N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964435
4-methyl-N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976528
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide
CID 16991556
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
2-ethyl-N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 16980992
4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991902
4-methyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
CID 16984255

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide?
The IUPAC name of N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide (CID 16984267) is N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide?
The canonical SMILES for N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCCc2nc3ccccc3n2Cc2ccccc2)cc1.
What is the InChIKey of N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide?
The InChIKey is BEMFEOWDDCXUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-19-13-15-21(16-14-19)25(29)26-17-7-12-24-27-22-10-5-6-11-23(22)28(24)18-20-8-3-2-4-9-20/h2-6,8-11,13-16H,7,12,17-18H2,1H3,(H,26,29).
What are the key properties of N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide?
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide has a molecular weight of 383.50 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide is sourced from PubChem (CID 16984267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).