5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide

C18H12ClN5O2S — CID 66623371

IUPAC5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESNC(=O)c1nc[nH]c1C(=O)N(c1nc2ccccc2s1)c1ccccc1Cl
InChIInChI=1S/C18H12ClN5O2S/c19-10-5-1-3-7-12(10)24(17(26)15-14(16(20)25)21-9-22-15)18-23-11-6-2-4-8-13(11)27-18/h1-9H,(H2,20,25)(H,21,22)
InChIKeyKUKZKQIYUDHYGY-UHFFFAOYSA-N
MW397.85 g/mol
LogP3.75
Rot. Bonds4

About 5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide

5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 66623371) has the molecular formula C18H12ClN5O2S and a molecular weight of 397.85 g/mol. Its IUPAC name is 5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID66623371
Molecular FormulaC18H12ClN5O2S
Molecular Weight397.85 g/mol
Exact Mass397.04
IUPAC Name5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESNC(=O)c1nc[nH]c1C(=O)N(c1nc2ccccc2s1)c1ccccc1Cl
InChIInChI=1S/C18H12ClN5O2S/c19-10-5-1-3-7-12(10)24(17(26)15-14(16(20)25)21-9-22-15)18-23-11-6-2-4-8-13(11)27-18/h1-9H,(H2,20,25)(H,21,22)
InChIKeyKUKZKQIYUDHYGY-UHFFFAOYSA-N
XLogP3.75
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.85
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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5-N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide (CID 66623371) is 5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide is NC(=O)c1nc[nH]c1C(=O)N(c1nc2ccccc2s1)c1ccccc1Cl.
What is the InChIKey of 5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is KUKZKQIYUDHYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O2S/c19-10-5-1-3-7-12(10)24(17(26)15-14(16(20)25)21-9-22-15)18-23-11-6-2-4-8-13(11)27-18/h1-9H,(H2,20,25)(H,21,22).
What are the key properties of 5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 397.85 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 66623371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).