5-N-(5-bromo-2-methylphenyl)-5-N-(4-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide

C20H17BrN6O3 — CID 66623224

IUPAC5-N-(5-bromo-2-methylphenyl)-5-N-(4-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
SMILESCOc1cccc2[nH]c(N(C(=O)c3[nH]cnc3C(N)=O)c3cc(Br)ccc3C)nc12
InChIInChI=1S/C20H17BrN6O3/c1-10-6-7-11(21)8-13(10)27(19(29)17-16(18(22)28)23-9-24-17)20-25-12-4-3-5-14(30-2)15(12)26-20/h3-9H,1-2H3,(H2,22,28)(H,23,24)(H,25,26)
InChIKeyFKBLMNCVTUVPDE-UHFFFAOYSA-N
MW469.30 g/mol
LogP3.44
Rot. Bonds5

About 5-N-(5-bromo-2-methylphenyl)-5-N-(4-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide

5-N-(5-bromo-2-methylphenyl)-5-N-(4-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 66623224) has the molecular formula C20H17BrN6O3 and a molecular weight of 469.30 g/mol. Its IUPAC name is 5-N-(5-bromo-2-methylphenyl)-5-N-(4-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(5-bromo-2-methylphenyl)-5-N-(4-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
PubChem CID66623224
Molecular FormulaC20H17BrN6O3
Molecular Weight469.30 g/mol
Exact Mass468.05
IUPAC Name5-N-(5-bromo-2-methylphenyl)-5-N-(4-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
SMILESCOc1cccc2[nH]c(N(C(=O)c3[nH]cnc3C(N)=O)c3cc(Br)ccc3C)nc12
InChIInChI=1S/C20H17BrN6O3/c1-10-6-7-11(21)8-13(10)27(19(29)17-16(18(22)28)23-9-24-17)20-25-12-4-3-5-14(30-2)15(12)26-20/h3-9H,1-2H3,(H2,22,28)(H,23,24)(H,25,26)
InChIKeyFKBLMNCVTUVPDE-UHFFFAOYSA-N
XLogP3.44
TPSA129.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.30
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(1H-benzimidazol-2-yl)-5-N-(2,6-dimethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 66623499
5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
CID 134232324
1-(4-methoxy-1H-benzimidazol-2-yl)ethanone
CID 18316612
5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 66623371
5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 118419409
5-N-(6-bromo-1H-benzimidazol-2-yl)-4-N-(5-bromo-2-methylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 59349460
5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419436
4-(4-methyl-1H-benzimidazol-2-yl)-1H-imidazole-5-carboxylic acid
CID 136991636
4-N-(5-bromo-2-methylphenyl)-5-N-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide
CID 59349436
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-6-methoxyphenol
CID 136727868
2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid
CID 67942842
[2-bromo-4-(4-carbamoyl-1H-benzimidazol-2-yl)-6-methoxyphenyl] 2,4,6-trimethylbenzenesulfonate
CID 175450845

Frequently Asked Questions

What is the IUPAC name of 5-N-(5-bromo-2-methylphenyl)-5-N-(4-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(5-bromo-2-methylphenyl)-5-N-(4-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide (CID 66623224) is 5-N-(5-bromo-2-methylphenyl)-5-N-(4-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(5-bromo-2-methylphenyl)-5-N-(4-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(5-bromo-2-methylphenyl)-5-N-(4-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide is COc1cccc2[nH]c(N(C(=O)c3[nH]cnc3C(N)=O)c3cc(Br)ccc3C)nc12.
What is the InChIKey of 5-N-(5-bromo-2-methylphenyl)-5-N-(4-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is FKBLMNCVTUVPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN6O3/c1-10-6-7-11(21)8-13(10)27(19(29)17-16(18(22)28)23-9-24-17)20-25-12-4-3-5-14(30-2)15(12)26-20/h3-9H,1-2H3,(H2,22,28)(H,23,24)(H,25,26).
What are the key properties of 5-N-(5-bromo-2-methylphenyl)-5-N-(4-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide?
5-N-(5-bromo-2-methylphenyl)-5-N-(4-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 469.30 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-bromo-2-methylphenyl)-5-N-(4-methoxy-1H-benzimidazol-2-yl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 66623224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).