N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide

C18H19FN4OS — CID 18161807

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESCN(C)C(CNC(=O)c1cncn1-c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H19FN4OS/c1-22(2)15(17-4-3-9-25-17)11-21-18(24)16-10-20-12-23(16)14-7-5-13(19)6-8-14/h3-10,12,15H,11H2,1-2H3,(H,21,24)
InChIKeyMXCFXPKUSSTCPM-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.11
Rot. Bonds6

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide (PubChem CID 18161807) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
PubChem CID18161807
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESCN(C)C(CNC(=O)c1cncn1-c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H19FN4OS/c1-22(2)15(17-4-3-9-25-17)11-21-18(24)16-10-20-12-23(16)14-7-5-13(19)6-8-14/h3-10,12,15H,11H2,1-2H3,(H,21,24)
InChIKeyMXCFXPKUSSTCPM-UHFFFAOYSA-N
XLogP3.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-phenylimidazole-4-carboxamide
CID 41236053
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-fluorophenyl)acetamide
CID 30834307
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 18161783
3-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazole-4-carboxamide
CID 42887024
N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride
CID 119495560
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
CID 30834274
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluoro-3-methylbenzamide
CID 63213496
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
CID 18161860
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 112794324
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 18161816
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4782773

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide (CID 18161807) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide is CN(C)C(CNC(=O)c1cncn1-c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The InChIKey is MXCFXPKUSSTCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-22(2)15(17-4-3-9-25-17)11-21-18(24)16-10-20-12-23(16)14-7-5-13(19)6-8-14/h3-10,12,15H,11H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 18161807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).