2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide

C16H21N3O2S — CID 7151044

IUPAC2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nccn1Cc1ccc(OC)cc1
InChIInChI=1S/C16H21N3O2S/c1-3-8-17-15(20)12-22-16-18-9-10-19(16)11-13-4-6-14(21-2)7-5-13/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,17,20)
InChIKeyXKCWGPWMKWCUDU-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.56
Rot. Bonds8

About 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide

2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide (PubChem CID 7151044) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide
PubChem CID7151044
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nccn1Cc1ccc(OC)cc1
InChIInChI=1S/C16H21N3O2S/c1-3-8-17-15(20)12-22-16-18-9-10-19(16)11-13-4-6-14(21-2)7-5-13/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,17,20)
InChIKeyXKCWGPWMKWCUDU-UHFFFAOYSA-N
XLogP2.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(hexyloxy)-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 4199636
2-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-imidazol-2-yl)thio)-N-(2-methoxyethyl)acetamide
CID 7151085
N-Cyclopentyl-2-{[1-(2-methoxyphenyl)-1H-imidazol-2-YL]sulfanyl}acetamide
CID 16194301
N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 11624646
N-[3-(1H-imidazol-1-yl)propyl]-N'-(4-methoxybenzyl)ethanediamide
CID 2958937
2-((1-(3-methoxyphenyl)-1H-imidazol-2-yl)thio)-N-phenylacetamide
CID 866704
ethyl 4-(4-methoxyphenyl)-6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2982110
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 2998803
N-(4-Methoxy-benzyl)-N-[(4-methoxy-benzylcarbamoyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205335
N-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3244086
(5Z)-6-hydroxy-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-3-(4-methoxybenzyl)pyrimidine-2,4(3H,5H)-dione
CID 3774390
N-mesityl-2-((1-(3-methoxyphenyl)-1H-imidazol-2-yl)thio)acetamide
CID 4107284

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide?
The IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide (CID 7151044) is 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide is CCCNC(=O)CSc1nccn1Cc1ccc(OC)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide?
The InChIKey is XKCWGPWMKWCUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-8-17-15(20)12-22-16-18-9-10-19(16)11-13-4-6-14(21-2)7-5-13/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,17,20).
What are the key properties of 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide?
2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide has a molecular weight of 319.43 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide is sourced from PubChem (CID 7151044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).