1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide

C21H22N6O3 — CID 118419316

IUPAC1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
SMILESCNC(=O)c1ncn(-c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)c1C(N)=O
InChIInChI=1S/C21H22N6O3/c1-23-21(30)17-18(19(22)28)27(12-24-17)16-10-6-14(7-11-16)25-20(29)13-4-8-15(9-5-13)26(2)3/h4-12H,1-3H3,(H2,22,28)(H,23,30)(H,25,29)
InChIKeySVWBIESVFZQVBA-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.65
Rot. Bonds6

About 1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide

1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide (PubChem CID 118419316) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is 1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
PubChem CID118419316
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC Name1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
SMILESCNC(=O)c1ncn(-c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)c1C(N)=O
InChIInChI=1S/C21H22N6O3/c1-23-21(30)17-18(19(22)28)27(12-24-17)16-10-6-14(7-11-16)25-20(29)13-4-8-15(9-5-13)26(2)3/h4-12H,1-3H3,(H2,22,28)(H,23,30)(H,25,29)
InChIKeySVWBIESVFZQVBA-UHFFFAOYSA-N
XLogP1.65
TPSA122.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(2-chloro-3,6-difluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118418999
1-[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419305
1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419005
1-[4-[(4-fluoro-2-iodobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419181
1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419565
1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide
CID 118419330
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526
1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide
CID 118419378
1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419686
4-[[4-(dimethylamino)phenyl]carbamoyl]benzoyl chloride
CID 122527773
4-(dimethylamino)-N-(4-iodophenyl)benzamide
CID 590767

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide?
The IUPAC name of 1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide (CID 118419316) is 1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide?
The canonical SMILES for 1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide is CNC(=O)c1ncn(-c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)c1C(N)=O.
What is the InChIKey of 1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide?
The InChIKey is SVWBIESVFZQVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-23-21(30)17-18(19(22)28)27(12-24-17)16-10-6-14(7-11-16)25-20(29)13-4-8-15(9-5-13)26(2)3/h4-12H,1-3H3,(H2,22,28)(H,23,30)(H,25,29).
What are the key properties of 1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide?
1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide has a molecular weight of 406.45 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).