N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide

C29H33N3O — CID 16992530

IUPACN-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
SMILESCc1ccccc1Cn1c(CCCCCNC(=O)CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C29H33N3O/c1-23-12-7-8-15-25(23)22-32-27-17-10-9-16-26(27)31-28(32)18-6-3-11-21-30-29(33)20-19-24-13-4-2-5-14-24/h2,4-5,7-10,12-17H,3,6,11,18-22H2,1H3,(H,30,33)
InChIKeyWPPGODREVPKGGD-UHFFFAOYSA-N
MW439.60 g/mol
LogP5.85
Rot. Bonds11

About N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide

N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide (PubChem CID 16992530) has the molecular formula C29H33N3O and a molecular weight of 439.60 g/mol. Its IUPAC name is N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
PubChem CID16992530
Molecular FormulaC29H33N3O
Molecular Weight439.60 g/mol
Exact Mass439.26
IUPAC NameN-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
SMILESCc1ccccc1Cn1c(CCCCCNC(=O)CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C29H33N3O/c1-23-12-7-8-15-25(23)22-32-27-17-10-9-16-26(27)31-28(32)18-6-3-11-21-30-29(33)20-19-24-13-4-2-5-14-24/h2,4-5,7-10,12-17H,3,6,11,18-22H2,1H3,(H,30,33)
InChIKeyWPPGODREVPKGGD-UHFFFAOYSA-N
XLogP5.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 55.85
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-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993340
N-[5-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992537
2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993525
3-phenyl-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]propanamide
CID 16986017
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide
CID 16992525
N-[5-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992616
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992206
N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988157
N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16985994
3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16978263
2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989614
2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
CID 16993490

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide?
The IUPAC name of N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide (CID 16992530) is N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide?
The canonical SMILES for N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide is Cc1ccccc1Cn1c(CCCCCNC(=O)CCc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide?
The InChIKey is WPPGODREVPKGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O/c1-23-12-7-8-15-25(23)22-32-27-17-10-9-16-26(27)31-28(32)18-6-3-11-21-30-29(33)20-19-24-13-4-2-5-14-24/h2,4-5,7-10,12-17H,3,6,11,18-22H2,1H3,(H,30,33).
What are the key properties of N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide?
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide has a molecular weight of 439.60 g/mol, XLogP of 5.85, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide is sourced from PubChem (CID 16992530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).