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

C32H37N3OS — CID 3693436

IUPACN-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide
SMILESCCCn1c(SCCCCNC(=O)C(CC)c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C32H37N3OS/c1-3-23-35-30(27-20-12-7-13-21-27)29(26-18-10-6-11-19-26)34-32(35)37-24-15-14-22-33-31(36)28(4-2)25-16-8-5-9-17-25/h5-13,16-21,28H,3-4,14-15,22-24H2,1-2H3,(H,33,36)
InChIKeyYISMKYLNMQGIMZ-UHFFFAOYSA-N
MW511.74 g/mol
LogP7.81
Rot. Bonds13

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

N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide (PubChem CID 3693436) has the molecular formula C32H37N3OS and a molecular weight of 511.74 g/mol. Its IUPAC name is N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide
PubChem CID3693436
Molecular FormulaC32H37N3OS
Molecular Weight511.74 g/mol
Exact Mass511.27
IUPAC NameN-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide
SMILESCCCn1c(SCCCCNC(=O)C(CC)c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C32H37N3OS/c1-3-23-35-30(27-20-12-7-13-21-27)29(26-18-10-6-11-19-26)34-32(35)37-24-15-14-22-33-31(36)28(4-2)25-16-8-5-9-17-25/h5-13,16-21,28H,3-4,14-15,22-24H2,1-2H3,(H,33,36)
InChIKeyYISMKYLNMQGIMZ-UHFFFAOYSA-N
XLogP7.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.74
LogP ≤ 57.81
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-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-2-ethylhexanamide
CID 3880800
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide
CID 4238393
N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]cyclohexanecarboxamide
CID 4598750
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]-3-phenylprop-2-enamide
CID 4683494
2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide
CID 3378636
3-chloro-N-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-2,2-dimethylpropanamide
CID 3556679
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide?
The IUPAC name of N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide (CID 3693436) is N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide.
What is the SMILES notation for N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide?
The canonical SMILES for N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide is CCCn1c(SCCCCNC(=O)C(CC)c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide?
The InChIKey is YISMKYLNMQGIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3OS/c1-3-23-35-30(27-20-12-7-13-21-27)29(26-18-10-6-11-19-26)34-32(35)37-24-15-14-22-33-31(36)28(4-2)25-16-8-5-9-17-25/h5-13,16-21,28H,3-4,14-15,22-24H2,1-2H3,(H,33,36).
What are the key properties of N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide?
N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide has a molecular weight of 511.74 g/mol, XLogP of 7.81, 13 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]-2-phenylbutanamide is sourced from PubChem (CID 3693436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).