5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide

C18H16ClN3OS — CID 58284901

IUPAC5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C18H16ClN3OS/c1-11-20-15(12-2-4-13(19)5-3-12)10-22(11)17-9-8-16(24-17)18(23)21-14-6-7-14/h2-5,8-10,14H,6-7H2,1H3,(H,21,23)
InChIKeyHVPYHSLAUKYSHL-UHFFFAOYSA-N
MW357.87 g/mol
LogP4.45
Rot. Bonds4

About 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide

5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide (PubChem CID 58284901) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide
PubChem CID58284901
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C18H16ClN3OS/c1-11-20-15(12-2-4-13(19)5-3-12)10-22(11)17-9-8-16(24-17)18(23)21-14-6-7-14/h2-5,8-10,14H,6-7H2,1H3,(H,21,23)
InChIKeyHVPYHSLAUKYSHL-UHFFFAOYSA-N
XLogP4.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((1S)-2-Amino-1-(2,4-dichlorobenzyl)ethyl)-5-(2-(methylamino)pyrimidin-4-YL)thiophene-2-carboxamide
CID 16043304
4-chloro-N-(2-(2-thienyl)imidazo(1,2-a)pyridin-3-yl)benzamide
CID 979718
Azole, 8
CID 53348138
4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 44526241
4-chloro-N-[6-methyl-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 979726
4-chloro-N-[6-chloro-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 979730
5-chloro-N-((1R,2S)-2-(4-(2-((dimethylamino)methyl)-1H-imidazol-1-yl)benzamido)cyclopentyl)thiophene-2-carboxamide
CID 11248439
5-chloro-N-((1R,2S)-2-(4-(2-((dimethylamino)methyl)-1H-imidazol-1-yl)benzamido)cyclohexyl)thiophene-2-carboxamide
CID 11397605
N-((R)-1-amino-3-(2,4-dichlorophenyl)propan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414422
N-((S)-1-(2,4-dichlorophenyl)-3-(dimethylamino)propan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414447
N-(1-amino-3-(2,4-dichlorophenyl)propan-2-yl)-5-(2-(methylamino)pyrimidin-4-yl)thiophene-2-carboxamide
CID 44414579
5-(5-chloro-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide
CID 58284850

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide?
The IUPAC name of 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide (CID 58284901) is 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide is Cc1nc(-c2ccc(Cl)cc2)cn1-c1ccc(C(=O)NC2CC2)s1.
What is the InChIKey of 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide?
The InChIKey is HVPYHSLAUKYSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-11-20-15(12-2-4-13(19)5-3-12)10-22(11)17-9-8-16(24-17)18(23)21-14-6-7-14/h2-5,8-10,14H,6-7H2,1H3,(H,21,23).
What are the key properties of 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide?
5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide has a molecular weight of 357.87 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)-2-methylimidazol-1-yl]-N-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 58284901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).