4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide

C30H33N3OS — CID 42725819

IUPAC4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide
SMILESCCc1ccc(C(=O)NCCCCSc2nc(-c3ccccc3)c(-c3ccccc3)n2CC)cc1
InChIInChI=1S/C30H33N3OS/c1-3-23-17-19-26(20-18-23)29(34)31-21-11-12-22-35-30-32-27(24-13-7-5-8-14-24)28(33(30)4-2)25-15-9-6-10-16-25/h5-10,13-20H,3-4,11-12,21-22H2,1-2H3,(H,31,34)
InChIKeyKRWNPHGPDHGMKC-UHFFFAOYSA-N
MW483.68 g/mol
LogP7.10
Rot. Bonds11

About 4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide

4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide (PubChem CID 42725819) has the molecular formula C30H33N3OS and a molecular weight of 483.68 g/mol. Its IUPAC name is 4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide
PubChem CID42725819
Molecular FormulaC30H33N3OS
Molecular Weight483.68 g/mol
Exact Mass483.23
IUPAC Name4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide
SMILESCCc1ccc(C(=O)NCCCCSc2nc(-c3ccccc3)c(-c3ccccc3)n2CC)cc1
InChIInChI=1S/C30H33N3OS/c1-3-23-17-19-26(20-18-23)29(34)31-21-11-12-22-35-30-32-27(24-13-7-5-8-14-24)28(33(30)4-2)25-15-9-6-10-16-25/h5-10,13-20H,3-4,11-12,21-22H2,1-2H3,(H,31,34)
InChIKeyKRWNPHGPDHGMKC-UHFFFAOYSA-N
XLogP7.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.68
LogP ≤ 57.10
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-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-4-pentylbenzamide
CID 4534418
N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide
CID 3892183
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide
CID 5137693
2-chloro-N-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]benzamide
CID 5114065
4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutanoic acid
CID 42725662
N-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]-3,5-dimethoxybenzamide
CID 4588239
4-tert-butyl-N-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]benzamide
CID 42657918
1-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 5137200
N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide
CID 3693436
N-[4-(1-methyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dinitrobenzamide
CID 45488540
N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide
CID 4598750
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-2-ethylhexanamide
CID 3880800

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide?
The IUPAC name of 4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide (CID 42725819) is 4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide?
The canonical SMILES for 4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide is CCc1ccc(C(=O)NCCCCSc2nc(-c3ccccc3)c(-c3ccccc3)n2CC)cc1.
What is the InChIKey of 4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide?
The InChIKey is KRWNPHGPDHGMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3OS/c1-3-23-17-19-26(20-18-23)29(34)31-21-11-12-22-35-30-32-27(24-13-7-5-8-14-24)28(33(30)4-2)25-15-9-6-10-16-25/h5-10,13-20H,3-4,11-12,21-22H2,1-2H3,(H,31,34).
What are the key properties of 4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide?
4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide has a molecular weight of 483.68 g/mol, XLogP of 7.10, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide is sourced from PubChem (CID 42725819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).