5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide

C18H14BrClN4O2 — CID 59349426

IUPAC5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H14BrClN4O2/c1-10-2-3-11(19)8-14(10)24-18(26)16-15(21-9-22-16)17(25)23-13-6-4-12(20)5-7-13/h2-9H,1H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyKTWMVLXTMAUIMD-UHFFFAOYSA-N
MW433.69 g/mol
LogP4.64
Rot. Bonds4

About 5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide

5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 59349426) has the molecular formula C18H14BrClN4O2 and a molecular weight of 433.69 g/mol. Its IUPAC name is 5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID59349426
Molecular FormulaC18H14BrClN4O2
Molecular Weight433.69 g/mol
Exact Mass432.00
IUPAC Name5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1ccc(Br)cc1NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H14BrClN4O2/c1-10-2-3-11(19)8-14(10)24-18(26)16-15(21-9-22-16)17(25)23-13-6-4-12(20)5-7-13/h2-9H,1H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyKTWMVLXTMAUIMD-UHFFFAOYSA-N
XLogP4.64
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.69
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(5-bromo-2-methylphenyl)-5-N-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
CID 59349436
5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 59349460
5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736447
4-[(4-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 959629
4-N-[4-[(3,5-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 123530024
4-N-[4-[(2,4-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424076
4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide
CID 823571
4-N-(5-bromo-2-methylphenyl)-5-N-[6-[2-(dimethylamino)ethoxy]-1,4-dihydroquinolin-2-yl]-1H-imidazole-4,5-dicarboxamide
CID 143653530
4-N-(5-bromo-2-methylphenyl)-5-N-(6-piperidin-4-yloxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
CID 59349520
4-[2-[[4-[(5-bromo-2-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3H-benzimidazol-5-yl]piperazine-1-carboxylic acid
CID 68866404
5-N-methyl-4-N-(2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 965334
4-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424117

Frequently Asked Questions

What is the IUPAC name of 5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide (CID 59349426) is 5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide is Cc1ccc(Br)cc1NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is KTWMVLXTMAUIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN4O2/c1-10-2-3-11(19)8-14(10)24-18(26)16-15(21-9-22-16)17(25)23-13-6-4-12(20)5-7-13/h2-9H,1H3,(H,21,22)(H,23,25)(H,24,26).
What are the key properties of 5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 433.69 g/mol, XLogP of 4.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 59349426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).