3-benzyl-5-[[4-(methoxymethoxy)-3,5-dimethylbenzoyl]amino]imidazole-4-carboxamide

C22H24N4O4 — CID 18360488

IUPAC3-benzyl-5-[[4-(methoxymethoxy)-3,5-dimethylbenzoyl]amino]imidazole-4-carboxamide
SMILESCOCOc1c(C)cc(C(=O)Nc2ncn(Cc3ccccc3)c2C(N)=O)cc1C
InChIInChI=1S/C22H24N4O4/c1-14-9-17(10-15(2)19(14)30-13-29-3)22(28)25-21-18(20(23)27)26(12-24-21)11-16-7-5-4-6-8-16/h4-10,12H,11,13H2,1-3H3,(H2,23,27)(H,25,28)
InChIKeyGJEDSQDZGGGGPW-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.88
Rot. Bonds8

About 3-benzyl-5-[[4-(methoxymethoxy)-3,5-dimethylbenzoyl]amino]imidazole-4-carboxamide

3-benzyl-5-[[4-(methoxymethoxy)-3,5-dimethylbenzoyl]amino]imidazole-4-carboxamide (PubChem CID 18360488) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-benzyl-5-[[4-(methoxymethoxy)-3,5-dimethylbenzoyl]amino]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-benzyl-5-[[4-(methoxymethoxy)-3,5-dimethylbenzoyl]amino]imidazole-4-carboxamide
PubChem CID18360488
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name3-benzyl-5-[[4-(methoxymethoxy)-3,5-dimethylbenzoyl]amino]imidazole-4-carboxamide
SMILESCOCOc1c(C)cc(C(=O)Nc2ncn(Cc3ccccc3)c2C(N)=O)cc1C
InChIInChI=1S/C22H24N4O4/c1-14-9-17(10-15(2)19(14)30-13-29-3)22(28)25-21-18(20(23)27)26(12-24-21)11-16-7-5-4-6-8-16/h4-10,12H,11,13H2,1-3H3,(H2,23,27)(H,25,28)
InChIKeyGJEDSQDZGGGGPW-UHFFFAOYSA-N
XLogP2.88
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[[4-(methoxymethoxy)-3,5-dimethylbenzoyl]amino]imidazole-4-carboxamide?
The IUPAC name of 3-benzyl-5-[[4-(methoxymethoxy)-3,5-dimethylbenzoyl]amino]imidazole-4-carboxamide (CID 18360488) is 3-benzyl-5-[[4-(methoxymethoxy)-3,5-dimethylbenzoyl]amino]imidazole-4-carboxamide.
What is the SMILES notation for 3-benzyl-5-[[4-(methoxymethoxy)-3,5-dimethylbenzoyl]amino]imidazole-4-carboxamide?
The canonical SMILES for 3-benzyl-5-[[4-(methoxymethoxy)-3,5-dimethylbenzoyl]amino]imidazole-4-carboxamide is COCOc1c(C)cc(C(=O)Nc2ncn(Cc3ccccc3)c2C(N)=O)cc1C.
What is the InChIKey of 3-benzyl-5-[[4-(methoxymethoxy)-3,5-dimethylbenzoyl]amino]imidazole-4-carboxamide?
The InChIKey is GJEDSQDZGGGGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14-9-17(10-15(2)19(14)30-13-29-3)22(28)25-21-18(20(23)27)26(12-24-21)11-16-7-5-4-6-8-16/h4-10,12H,11,13H2,1-3H3,(H2,23,27)(H,25,28).
What are the key properties of 3-benzyl-5-[[4-(methoxymethoxy)-3,5-dimethylbenzoyl]amino]imidazole-4-carboxamide?
3-benzyl-5-[[4-(methoxymethoxy)-3,5-dimethylbenzoyl]amino]imidazole-4-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[[4-(methoxymethoxy)-3,5-dimethylbenzoyl]amino]imidazole-4-carboxamide is sourced from PubChem (CID 18360488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).