N-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide

C32H33N3O2 — CID 16986093

IUPACN-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCCc1nc2ccccc2n1CCCOc1cccc2ccccc12
InChIInChI=1S/C32H33N3O2/c36-32(21-20-25-11-2-1-3-12-25)33-22-9-19-31-34-28-16-6-7-17-29(28)35(31)23-10-24-37-30-18-8-14-26-13-4-5-15-27(26)30/h1-8,11-18H,9-10,19-24H2,(H,33,36)
InChIKeyDDLSJVRDTGBTAE-UHFFFAOYSA-N
MW491.64 g/mol
LogP6.34
Rot. Bonds12

About N-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide

N-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide (PubChem CID 16986093) has the molecular formula C32H33N3O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is N-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
PubChem CID16986093
Molecular FormulaC32H33N3O2
Molecular Weight491.64 g/mol
Exact Mass491.26
IUPAC NameN-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCCc1nc2ccccc2n1CCCOc1cccc2ccccc12
InChIInChI=1S/C32H33N3O2/c36-32(21-20-25-11-2-1-3-12-25)33-22-9-19-31-34-28-16-6-7-17-29(28)35(31)23-10-24-37-30-18-8-14-26-13-4-5-15-27(26)30/h1-8,11-18H,9-10,19-24H2,(H,33,36)
InChIKeyDDLSJVRDTGBTAE-UHFFFAOYSA-N
XLogP6.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 56.34
H-Bond Donors ≤ 51
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-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986079
3-phenyl-N-[3-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]propyl]propanamide
CID 16986104
N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978331
1-(4-naphthalen-1-yloxybutyl)-2-(2-phenylethyl)benzimidazole
CID 18879265
N-[5-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992616
N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992566
N-[5-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992610
2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide
CID 16981462
N-[5-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992597
N-[3-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
CID 16984937
N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3-phenylpropanamide
CID 16978268
N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986077

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide (CID 16986093) is N-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCCCc1nc2ccccc2n1CCCOc1cccc2ccccc12.
What is the InChIKey of N-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide?
The InChIKey is DDLSJVRDTGBTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O2/c36-32(21-20-25-11-2-1-3-12-25)33-22-9-19-31-34-28-16-6-7-17-29(28)35(31)23-10-24-37-30-18-8-14-26-13-4-5-15-27(26)30/h1-8,11-18H,9-10,19-24H2,(H,33,36).
What are the key properties of N-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide?
N-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide has a molecular weight of 491.64 g/mol, XLogP of 6.34, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide is sourced from PubChem (CID 16986093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).