N-[3-[2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]acetamide

C21H18N4OS — CID 18771538

IUPACN-[3-[2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(-c3cc(C)cs3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C21H18N4OS/c1-13-10-18(27-12-13)21-24-19(15-6-8-22-9-7-15)20(25-21)16-4-3-5-17(11-16)23-14(2)26/h3-12H,1-2H3,(H,23,26)(H,24,25)
InChIKeyJLOBEDWDAXVQFM-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.13
Rot. Bonds4

About N-[3-[2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]acetamide

N-[3-[2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]acetamide (PubChem CID 18771538) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[3-[2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]acetamide
PubChem CID18771538
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN-[3-[2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(-c3cc(C)cs3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C21H18N4OS/c1-13-10-18(27-12-13)21-24-19(15-6-8-22-9-7-15)20(25-21)16-4-3-5-17(11-16)23-14(2)26/h3-12H,1-2H3,(H,23,26)(H,24,25)
InChIKeyJLOBEDWDAXVQFM-UHFFFAOYSA-N
XLogP5.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine
CID 71625692
N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-[4-(3-methylphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]aniline
CID 161425092
N-[3-[5-(2-acetamido-4-pyridinyl)-2-methylsulfanyl-1H-imidazol-4-yl]phenyl]pyridine-4-carboxamide
CID 163228495
N-hydroxy-3-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)benzamide
CID 88918376
4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine
CID 54172042
4-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2,6-dimethylphenol
CID 135434125
4-[4-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine
CID 54423867
N-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide
CID 58006576
2-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223643
N-[4-[4-[8-[2-(4-acetamidophenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenyl]acetamide
CID 135495715
2-[4-(3-iodophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methylbenzenethiol
CID 146441256
N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]acetamide (CID 18771538) is N-[3-[2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nc(-c3cc(C)cs3)[nH]c2-c2ccncc2)c1.
What is the InChIKey of N-[3-[2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]acetamide?
The InChIKey is JLOBEDWDAXVQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-13-10-18(27-12-13)21-24-19(15-6-8-22-9-7-15)20(25-21)16-4-3-5-17(11-16)23-14(2)26/h3-12H,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]acetamide?
N-[3-[2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]acetamide has a molecular weight of 374.47 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1H-imidazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 18771538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).