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

C31H29N3O — CID 16985850

IUPACN-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCCCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C31H29N3O/c35-31(22-24-17-19-27(20-18-24)26-12-5-2-6-13-26)32-21-9-16-30-33-28-14-7-8-15-29(28)34(30)23-25-10-3-1-4-11-25/h1-8,10-15,17-20H,9,16,21-23H2,(H,32,35)
InChIKeyJOIATCBMMKUYTK-UHFFFAOYSA-N
MW459.59 g/mol
LogP6.04
Rot. Bonds9

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

N-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16985850) has the molecular formula C31H29N3O and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
PubChem CID16985850
Molecular FormulaC31H29N3O
Molecular Weight459.59 g/mol
Exact Mass459.23
IUPAC NameN-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCCCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C31H29N3O/c35-31(22-24-17-19-27(20-18-24)26-12-5-2-6-13-26)32-21-9-16-30-33-28-14-7-8-15-29(28)34(30)23-25-10-3-1-4-11-25/h1-8,10-15,17-20H,9,16,21-23H2,(H,32,35)
InChIKeyJOIATCBMMKUYTK-UHFFFAOYSA-N
XLogP6.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 56.04
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

N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994310
N-[3-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985868
N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide
CID 16994327
2-(4-phenylphenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994330
2-(4-phenylphenyl)-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
CID 16985855
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985842
N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985848
N-[3-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
CID 16984897
N-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993357
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16978942
ethyl 2-[2-[3-[[2-(4-phenylphenyl)acetyl]amino]propyl]benzimidazol-1-yl]acetate
CID 16985981
2-(4-phenylphenyl)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994316

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide (CID 16985850) is N-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)NCCCc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is JOIATCBMMKUYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O/c35-31(22-24-17-19-27(20-18-24)26-12-5-2-6-13-26)32-21-9-16-30-33-28-14-7-8-15-29(28)34(30)23-25-10-3-1-4-11-25/h1-8,10-15,17-20H,9,16,21-23H2,(H,32,35).
What are the key properties of N-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide?
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 459.59 g/mol, XLogP of 6.04, 9 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]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16985850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).