N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide

C29H37N3OS — CID 4598750

IUPACN-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide
SMILESCCCn1c(SCCCCNC(=O)C2CCCCC2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C29H37N3OS/c1-2-21-32-27(24-16-8-4-9-17-24)26(23-14-6-3-7-15-23)31-29(32)34-22-13-12-20-30-28(33)25-18-10-5-11-19-25/h3-4,6-9,14-17,25H,2,5,10-13,18-22H2,1H3,(H,30,33)
InChIKeyFBMNYIGVOPEFIF-UHFFFAOYSA-N
MW475.70 g/mol
LogP7.20
Rot. Bonds11

About N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide

N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide (PubChem CID 4598750) has the molecular formula C29H37N3OS and a molecular weight of 475.70 g/mol. Its IUPAC name is N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide
PubChem CID4598750
Molecular FormulaC29H37N3OS
Molecular Weight475.70 g/mol
Exact Mass475.27
IUPAC NameN-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide
SMILESCCCn1c(SCCCCNC(=O)C2CCCCC2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C29H37N3OS/c1-2-21-32-27(24-16-8-4-9-17-24)26(23-14-6-3-7-15-23)31-29(32)34-22-13-12-20-30-28(33)25-18-10-5-11-19-25/h3-4,6-9,14-17,25H,2,5,10-13,18-22H2,1H3,(H,30,33)
InChIKeyFBMNYIGVOPEFIF-UHFFFAOYSA-N
XLogP7.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.70
LogP ≤ 57.20
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]-2-phenylbutanamide
CID 3693436
N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-4-pentylbenzamide
CID 4534418
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-4-fluorobenzamide
CID 5137693
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-2-ethylhexanamide
CID 3880800
5-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-N-pentylpentanamide
CID 3280619
4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide
CID 42725819
N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide
CID 4553350
N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3,5-dimethoxybenzamide
CID 3892183
N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-cyclopentylpropanamide
CID 3984603
2-chloro-N-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]benzamide
CID 5114065
4-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanyl-1-piperidin-1-ylbutan-1-one
CID 3300627
4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutanoic acid
CID 42725662

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide (CID 4598750) is N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide is CCCn1c(SCCCCNC(=O)C2CCCCC2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide?
The InChIKey is FBMNYIGVOPEFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3OS/c1-2-21-32-27(24-16-8-4-9-17-24)26(23-14-6-3-7-15-23)31-29(32)34-22-13-12-20-30-28(33)25-18-10-5-11-19-25/h3-4,6-9,14-17,25H,2,5,10-13,18-22H2,1H3,(H,30,33).
What are the key properties of N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide?
N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide has a molecular weight of 475.70 g/mol, XLogP of 7.20, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide is sourced from PubChem (CID 4598750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).