N-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]-N-[(4-octadecoxyphenyl)methyl]acetamide

C43H59N3O2 — CID 20822712

IUPACN-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]-N-[(4-octadecoxyphenyl)methyl]acetamide
SMILESCCCCCCCCCCCCCCCCCCOc1ccc(CN(C(C)=O)c2ccccc2-c2nc(-c3ccccc3)[nH]c2C)cc1
InChIInChI=1S/C43H59N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-33-48-39-31-29-37(30-32-39)34-46(36(3)47)41-28-23-22-27-40(41)42-35(2)44-43(45-42)38-25-20-19-21-26-38/h19-23,25-32H,4-18,24,33-34H2,1-3H3,(H,44,45)
InChIKeyFIQPVTWYYLBYFP-UHFFFAOYSA-N
MW649.96 g/mol
LogP12.25
Rot. Bonds23

About N-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]-N-[(4-octadecoxyphenyl)methyl]acetamide

N-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]-N-[(4-octadecoxyphenyl)methyl]acetamide (PubChem CID 20822712) has the molecular formula C43H59N3O2 and a molecular weight of 649.96 g/mol. Its IUPAC name is N-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]-N-[(4-octadecoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]-N-[(4-octadecoxyphenyl)methyl]acetamide
PubChem CID20822712
Molecular FormulaC43H59N3O2
Molecular Weight649.96 g/mol
Exact Mass649.46
IUPAC NameN-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]-N-[(4-octadecoxyphenyl)methyl]acetamide
SMILESCCCCCCCCCCCCCCCCCCOc1ccc(CN(C(C)=O)c2ccccc2-c2nc(-c3ccccc3)[nH]c2C)cc1
InChIInChI=1S/C43H59N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-33-48-39-31-29-37(30-32-39)34-46(36(3)47)41-28-23-22-27-40(41)42-35(2)44-43(45-42)38-25-20-19-21-26-38/h19-23,25-32H,4-18,24,33-34H2,1-3H3,(H,44,45)
InChIKeyFIQPVTWYYLBYFP-UHFFFAOYSA-N
XLogP12.25
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.96
LogP ≤ 512.25
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-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]-N-[(4-octadeca-1,3,5,7,9,11,13,15,17-nonaynoxyphenyl)methyl]acetamide
CID 20818459
2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 4148530
N-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide bromide
CID 19924802
N-[2-[(3,4-dimethyl-2H-pyridin-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide;hydrobromide
CID 173343295
N-[3-(bromomethyl)phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide
CID 10414650
2-(4-decoxyphenyl)benzoic acid
CID 19898368
N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide bromide
CID 19925429
5-dodecoxy-2-phenylbenzoic acid
CID 23289015
N-[4-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-N-[(4-tetradecoxyphenyl)methyl]acetamide
CID 11764590
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
[3-[(N-acetyl-4-tetradecoxyanilino)methyl]phenyl]methyl methanesulfonate
CID 10460092
4-[2-(4-octoxyphenyl)phenyl]benzoic acid
CID 131719004

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]-N-[(4-octadecoxyphenyl)methyl]acetamide?
The IUPAC name of N-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]-N-[(4-octadecoxyphenyl)methyl]acetamide (CID 20822712) is N-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]-N-[(4-octadecoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]-N-[(4-octadecoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]-N-[(4-octadecoxyphenyl)methyl]acetamide is CCCCCCCCCCCCCCCCCCOc1ccc(CN(C(C)=O)c2ccccc2-c2nc(-c3ccccc3)[nH]c2C)cc1.
What is the InChIKey of N-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]-N-[(4-octadecoxyphenyl)methyl]acetamide?
The InChIKey is FIQPVTWYYLBYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H59N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-33-48-39-31-29-37(30-32-39)34-46(36(3)47)41-28-23-22-27-40(41)42-35(2)44-43(45-42)38-25-20-19-21-26-38/h19-23,25-32H,4-18,24,33-34H2,1-3H3,(H,44,45).
What are the key properties of N-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]-N-[(4-octadecoxyphenyl)methyl]acetamide?
N-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]-N-[(4-octadecoxyphenyl)methyl]acetamide has a molecular weight of 649.96 g/mol, XLogP of 12.25, 23 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)phenyl]-N-[(4-octadecoxyphenyl)methyl]acetamide is sourced from PubChem (CID 20822712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).