[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone

C17H18N2OS2 — CID 5056653

IUPAC[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(C)c(CSC2=NCCN2C(=O)c2cccs2)c1
InChIInChI=1S/C17H18N2OS2/c1-12-5-6-13(2)14(10-12)11-22-17-18-7-8-19(17)16(20)15-4-3-9-21-15/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeySSHQWGMQCNMMIQ-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.11
Rot. Bonds3

About [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone

[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone (PubChem CID 5056653) has the molecular formula C17H18N2OS2 and a molecular weight of 330.48 g/mol. Its IUPAC name is [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
PubChem CID5056653
Molecular FormulaC17H18N2OS2
Molecular Weight330.48 g/mol
Exact Mass330.09
IUPAC Name[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone
SMILESCc1ccc(C)c(CSC2=NCCN2C(=O)c2cccs2)c1
InChIInChI=1S/C17H18N2OS2/c1-12-5-6-13(2)14(10-12)11-22-17-18-7-8-19(17)16(20)15-4-3-9-21-15/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeySSHQWGMQCNMMIQ-UHFFFAOYSA-N
XLogP4.11
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-((4-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 3422062
(2-((2-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 4685877
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 2545616
(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 3243391
[4-[(2,4-Dimethylphenyl)methyl]-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 156012279
(2-((3-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(thiophen-2-yl)methanone
CID 4295478
5-(3,4-Dimethyl-phenyl)-3-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2792005
N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)thiophene-2-carboxamide
CID 71528581
N-[4-(2,4-dimethylphenyl)-3-methyl-1,3-thiazol-2-ylidene]thiophene-2-carboxamide
CID 71528578
5-(3,4-dimethylphenyl)-3-ethylthieno[2,3-d]pyrimidin-4(3H)-one
CID 2792004
5-(3,4-Dimethylphenyl)-3-prop-2-enyl-3-hydrothiopheno[2,3-d]pyrimidin-4-one
CID 2792009
(2-((2,5-dimethylbenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 5048823

Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone (CID 5056653) is [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone is Cc1ccc(C)c(CSC2=NCCN2C(=O)c2cccs2)c1.
What is the InChIKey of [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
The InChIKey is SSHQWGMQCNMMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS2/c1-12-5-6-13(2)14(10-12)11-22-17-18-7-8-19(17)16(20)15-4-3-9-21-15/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone?
[2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone has a molecular weight of 330.48 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,5-dimethylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 5056653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).