N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide

C26H33N3OS — CID 4238393

IUPACN-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide
SMILESCCCn1c(SCCCNC(=O)CC(C)C)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H33N3OS/c1-4-17-29-25(22-14-9-6-10-15-22)24(21-12-7-5-8-13-21)28-26(29)31-18-11-16-27-23(30)19-20(2)3/h5-10,12-15,20H,4,11,16-19H2,1-3H3,(H,27,30)
InChIKeyIQELXAWAXWCQMX-UHFFFAOYSA-N
MW435.64 g/mol
LogP6.27
Rot. Bonds11

About N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide

N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide (PubChem CID 4238393) has the molecular formula C26H33N3OS and a molecular weight of 435.64 g/mol. Its IUPAC name is N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide
PubChem CID4238393
Molecular FormulaC26H33N3OS
Molecular Weight435.64 g/mol
Exact Mass435.23
IUPAC NameN-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide
SMILESCCCn1c(SCCCNC(=O)CC(C)C)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H33N3OS/c1-4-17-29-25(22-14-9-6-10-15-22)24(21-12-7-5-8-13-21)28-26(29)31-18-11-16-27-23(30)19-20(2)3/h5-10,12-15,20H,4,11,16-19H2,1-3H3,(H,27,30)
InChIKeyIQELXAWAXWCQMX-UHFFFAOYSA-N
XLogP6.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.64
LogP ≤ 56.27
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-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide
CID 3693436
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
N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]propanamide
CID 4553350
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
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
N-[3-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylpropyl]-2-phenoxyacetamide
CID 3889317
4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutanoic acid
CID 42725662
1-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 5137200

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide?
The IUPAC name of N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide (CID 4238393) is N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide.
What is the SMILES notation for N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide?
The canonical SMILES for N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide is CCCn1c(SCCCNC(=O)CC(C)C)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide?
The InChIKey is IQELXAWAXWCQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3OS/c1-4-17-29-25(22-14-9-6-10-15-22)24(21-12-7-5-8-13-21)28-26(29)31-18-11-16-27-23(30)19-20(2)3/h5-10,12-15,20H,4,11,16-19H2,1-3H3,(H,27,30).
What are the key properties of N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide?
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide has a molecular weight of 435.64 g/mol, XLogP of 6.27, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide is sourced from PubChem (CID 4238393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).