N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide

C35H45N3O — CID 16979893

IUPACN-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESCCCCCCCCCCCCn1c(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C35H45N3O/c1-2-3-4-5-6-7-8-9-10-16-27-38-33-20-15-14-19-32(33)37-34(38)25-26-36-35(39)28-29-21-23-31(24-22-29)30-17-12-11-13-18-30/h11-15,17-24H,2-10,16,25-28H2,1H3,(H,36,39)
InChIKeyBYGLPEMXYUMYHB-UHFFFAOYSA-N
MW523.77 g/mol
LogP8.53
Rot. Bonds17

About N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide

N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16979893) has the molecular formula C35H45N3O and a molecular weight of 523.77 g/mol. Its IUPAC name is N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
PubChem CID16979893
Molecular FormulaC35H45N3O
Molecular Weight523.77 g/mol
Exact Mass523.36
IUPAC NameN-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
SMILESCCCCCCCCCCCCn1c(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C35H45N3O/c1-2-3-4-5-6-7-8-9-10-16-27-38-33-20-15-14-19-32(33)37-34(38)25-26-36-35(39)28-29-21-23-31(24-22-29)30-17-12-11-13-18-30/h11-15,17-24H,2-10,16,25-28H2,1H3,(H,36,39)
InChIKeyBYGLPEMXYUMYHB-UHFFFAOYSA-N
XLogP8.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.77
LogP ≤ 58.53
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-(1-nonylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16979890
N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985848
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985842
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994305
2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide
CID 16979402
2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334
N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
CID 16993325
N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 16979975
N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 16979081
2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide
CID 16985520
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide
CID 16985517
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide (CID 16979893) is N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide is CCCCCCCCCCCCn1c(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is BYGLPEMXYUMYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N3O/c1-2-3-4-5-6-7-8-9-10-16-27-38-33-20-15-14-19-32(33)37-34(38)25-26-36-35(39)28-29-21-23-31(24-22-29)30-17-12-11-13-18-30/h11-15,17-24H,2-10,16,25-28H2,1H3,(H,36,39).
What are the key properties of N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide?
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 523.77 g/mol, XLogP of 8.53, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16979893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).