N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide

C28H25N3O — CID 16982222

IUPACN-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide
SMILESO=C(NCCCc1nc2ccccc2n1Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C28H25N3O/c32-28(22-11-2-1-3-12-22)29-19-9-18-27-30-25-16-6-7-17-26(25)31(27)20-23-14-8-13-21-10-4-5-15-24(21)23/h1-8,10-17H,9,18-20H2,(H,29,32)
InChIKeyGGYKLDRVYBVSDR-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.60
Rot. Bonds7

About N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide

N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide (PubChem CID 16982222) has the molecular formula C28H25N3O and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide
PubChem CID16982222
Molecular FormulaC28H25N3O
Molecular Weight419.53 g/mol
Exact Mass419.20
IUPAC NameN-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide
SMILESO=C(NCCCc1nc2ccccc2n1Cc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C28H25N3O/c32-28(22-11-2-1-3-12-22)29-19-9-18-27-30-25-16-6-7-17-26(25)31(27)20-23-14-8-13-21-10-4-5-15-24(21)23/h1-8,10-17H,9,18-20H2,(H,29,32)
InChIKeyGGYKLDRVYBVSDR-UHFFFAOYSA-N
XLogP5.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.60
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-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991902
N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide
CID 16980695
4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976708
N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16982208
4-chloro-N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 4630378
3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983159
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide
CID 16984267
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984277
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
(E)-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]-3-phenylprop-2-enamide
CID 16992712
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16989267
4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984581

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide (CID 16982222) is N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide is O=C(NCCCc1nc2ccccc2n1Cc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide?
The InChIKey is GGYKLDRVYBVSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O/c32-28(22-11-2-1-3-12-22)29-19-9-18-27-30-25-16-6-7-17-26(25)31(27)20-23-14-8-13-21-10-4-5-15-24(21)23/h1-8,10-17H,9,18-20H2,(H,29,32).
What are the key properties of N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide?
N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide has a molecular weight of 419.53 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16982222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).