(2S)-N,N-dimethyl-2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)propanamide

C18H19N3OS — CID 95141785

IUPAC(2S)-N,N-dimethyl-2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)propanamide
SMILESC[C@@H](C(=O)N(C)C)n1cnc(-c2ccccc2)c1-c1ccsc1
InChIInChI=1S/C18H19N3OS/c1-13(18(22)20(2)3)21-12-19-16(14-7-5-4-6-8-14)17(21)15-9-10-23-11-15/h4-13H,1-3H3/t13-/m0/s1
InChIKeyIJDLFYGHVCJNRP-ZDUSSCGKSA-N
MW325.44 g/mol
LogP3.93
Rot. Bonds4

About (2S)-N,N-dimethyl-2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)propanamide

(2S)-N,N-dimethyl-2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)propanamide (PubChem CID 95141785) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)propanamide
PubChem CID95141785
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name(2S)-N,N-dimethyl-2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)propanamide
SMILESC[C@@H](C(=O)N(C)C)n1cnc(-c2ccccc2)c1-c1ccsc1
InChIInChI=1S/C18H19N3OS/c1-13(18(22)20(2)3)21-12-19-16(14-7-5-4-6-8-14)17(21)15-9-10-23-11-15/h4-13H,1-3H3/t13-/m0/s1
InChIKeyIJDLFYGHVCJNRP-ZDUSSCGKSA-N
XLogP3.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539905
4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole
CID 446185
1-[(3-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539907
5-(1-(1H-imidazol-1-yl)ethyl)-2-(thiophen-3-yl)pyridine
CID 57330005
Disubstituted imidazole 27
CID 6539909
1-[(2-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539908
US10899769, Example 52
CID 139558466
2-(benzimidazol-1-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide
CID 42956503
(3-methyl-2-thienyl)[2-phenyl-6,7-dihydroimidazo[1,2-a]pyrimidin-8(5H)-yl]methanone
CID 53183315
1-[2-(2-Fluorophenyl)-5H,6H,7H,8H-imidazo[1,2-A]pyrimidin-8-YL]-2-(thiophen-2-YL)ethan-1-one
CID 53183371
1-[2-(2-Fluorophenyl)-5H,6H,7H,8H-imidazo[1,2-A]pyrimidin-8-YL]-2-(thiophen-3-YL)ethan-1-one
CID 53183373
2-(Dimethylamino)-1-(4-thiophen-3-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)ethanone
CID 97516316

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)propanamide?
The IUPAC name of (2S)-N,N-dimethyl-2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)propanamide (CID 95141785) is (2S)-N,N-dimethyl-2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)propanamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)propanamide is C[C@@H](C(=O)N(C)C)n1cnc(-c2ccccc2)c1-c1ccsc1.
What is the InChIKey of (2S)-N,N-dimethyl-2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)propanamide?
The InChIKey is IJDLFYGHVCJNRP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13(18(22)20(2)3)21-12-19-16(14-7-5-4-6-8-14)17(21)15-9-10-23-11-15/h4-13H,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)propanamide?
(2S)-N,N-dimethyl-2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)propanamide has a molecular weight of 325.44 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-(4-phenyl-5-thiophen-3-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 95141785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).