4-(4-chlorophenyl)-2-[4-[(dimethylamino)methyl]phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide

C22H20ClN5OS — CID 20684080

IUPAC4-(4-chlorophenyl)-2-[4-[(dimethylamino)methyl]phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
SMILESCN(C)Cc1ccc(-c2nc(-c3ccc(Cl)cc3)c(C(=O)Nc3nccs3)[nH]2)cc1
InChIInChI=1S/C22H20ClN5OS/c1-28(2)13-14-3-5-16(6-4-14)20-25-18(15-7-9-17(23)10-8-15)19(26-20)21(29)27-22-24-11-12-30-22/h3-12H,13H2,1-2H3,(H,25,26)(H,24,27,29)
InChIKeyFLQKXHBYOPVHHN-UHFFFAOYSA-N
MW437.96 g/mol
LogP5.17
Rot. Bonds6

About 4-(4-chlorophenyl)-2-[4-[(dimethylamino)methyl]phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide

4-(4-chlorophenyl)-2-[4-[(dimethylamino)methyl]phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide (PubChem CID 20684080) has the molecular formula C22H20ClN5OS and a molecular weight of 437.96 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[4-[(dimethylamino)methyl]phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[4-[(dimethylamino)methyl]phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
PubChem CID20684080
Molecular FormulaC22H20ClN5OS
Molecular Weight437.96 g/mol
Exact Mass437.11
IUPAC Name4-(4-chlorophenyl)-2-[4-[(dimethylamino)methyl]phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
SMILESCN(C)Cc1ccc(-c2nc(-c3ccc(Cl)cc3)c(C(=O)Nc3nccs3)[nH]2)cc1
InChIInChI=1S/C22H20ClN5OS/c1-28(2)13-14-3-5-16(6-4-14)20-25-18(15-7-9-17(23)10-8-15)19(26-20)21(29)27-22-24-11-12-30-22/h3-12H,13H2,1-2H3,(H,25,26)(H,24,27,29)
InChIKeyFLQKXHBYOPVHHN-UHFFFAOYSA-N
XLogP5.17
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.96
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-4-pyridin-4-yl-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
CID 20683994
2-(4-tert-butylphenyl)-4-[4-(dimethylamino)phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
CID 20684082
2-(2-chlorophenyl)-4-pyridin-4-yl-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide
CID 20683988
2-[4-[2-[4-[(dimethylamino)methyl]phenyl]-6-sulfanyl-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 143492124
2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 21381112
2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134036
5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 9138749
1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 127514333
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 9043781
1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 17426569
2-[(dimethylamino)methyl]-5-methyl-4-oxo-N-(1,3-thiazol-2-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 110502934
(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[4-[(dimethylamino)methyl]phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-2-[4-[(dimethylamino)methyl]phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide (CID 20684080) is 4-(4-chlorophenyl)-2-[4-[(dimethylamino)methyl]phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[4-[(dimethylamino)methyl]phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-2-[4-[(dimethylamino)methyl]phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide is CN(C)Cc1ccc(-c2nc(-c3ccc(Cl)cc3)c(C(=O)Nc3nccs3)[nH]2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[4-[(dimethylamino)methyl]phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide?
The InChIKey is FLQKXHBYOPVHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5OS/c1-28(2)13-14-3-5-16(6-4-14)20-25-18(15-7-9-17(23)10-8-15)19(26-20)21(29)27-22-24-11-12-30-22/h3-12H,13H2,1-2H3,(H,25,26)(H,24,27,29).
What are the key properties of 4-(4-chlorophenyl)-2-[4-[(dimethylamino)methyl]phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide?
4-(4-chlorophenyl)-2-[4-[(dimethylamino)methyl]phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide has a molecular weight of 437.96 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[4-[(dimethylamino)methyl]phenyl]-N-(1,3-thiazol-2-yl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 20684080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).