5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide

C18H15BrN4O2 — CID 4736447

IUPAC5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1cccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C18H15BrN4O2/c1-11-3-2-4-14(9-11)23-18(25)16-15(20-10-21-16)17(24)22-13-7-5-12(19)6-8-13/h2-10H,1H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyPUHGWAOSDFONGP-UHFFFAOYSA-N
MW399.25 g/mol
LogP3.99
Rot. Bonds4

About 5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide

5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 4736447) has the molecular formula C18H15BrN4O2 and a molecular weight of 399.25 g/mol. Its IUPAC name is 5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID4736447
Molecular FormulaC18H15BrN4O2
Molecular Weight399.25 g/mol
Exact Mass398.04
IUPAC Name5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
SMILESCc1cccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C18H15BrN4O2/c1-11-3-2-4-14(9-11)23-18(25)16-15(20-10-21-16)17(24)22-13-7-5-12(19)6-8-13/h2-10H,1H3,(H,20,21)(H,22,24)(H,23,25)
InChIKeyPUHGWAOSDFONGP-UHFFFAOYSA-N
XLogP3.99
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.25
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-(5-bromo-2-methylphenyl)-4-N-(4-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 59349426
4-(hydrazinecarbonyl)-N-(4-methylphenyl)-1H-imidazole-5-carboxamide
CID 823571
benzyl 2-[[4-[(3-methylphenyl)carbamoyl]-1H-imidazole-5-carbonyl]amino]-3-phenylpropanoate
CID 73319763
4-N-[4-[(2-hydroxy-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 123410514
4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 22331411
4-N-[4-[(2,6-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424005
4-N-(4-methylphenyl)-5-N-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736421
ethyl 4-[(4-methylphenyl)carbamoyl]-1H-imidazole-5-carboxylate
CID 847566
4-N-[4-[(3,5-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 123530024
(1Z)-2-anilino-N-[[5-[(3-methylphenyl)carbamoyl]-1H-imidazol-4-yl]amino]-2-oxoethanimidoyl cyanide
CID 6860969
5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide
CID 144936571
N-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110683979

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide (CID 4736447) is 5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide is Cc1cccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is PUHGWAOSDFONGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O2/c1-11-3-2-4-14(9-11)23-18(25)16-15(20-10-21-16)17(24)22-13-7-5-12(19)6-8-13/h2-10H,1H3,(H,20,21)(H,22,24)(H,23,25).
What are the key properties of 5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 399.25 g/mol, XLogP of 3.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-bromophenyl)-4-N-(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 4736447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).