1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide

C18H14ClN5O3 — CID 118419330

IUPAC1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide
SMILESNC(=O)c1ncn(-c2ccc(NC(=O)c3ccccc3Cl)cc2)c1C(N)=O
InChIInChI=1S/C18H14ClN5O3/c19-13-4-2-1-3-12(13)18(27)23-10-5-7-11(8-6-10)24-9-22-14(16(20)25)15(24)17(21)26/h1-9H,(H2,20,25)(H2,21,26)(H,23,27)
InChIKeyHHZJDXLJOBESBD-UHFFFAOYSA-N
MW383.80 g/mol
LogP1.98
Rot. Bonds5

About 1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide

1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide (PubChem CID 118419330) has the molecular formula C18H14ClN5O3 and a molecular weight of 383.80 g/mol. Its IUPAC name is 1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide
PubChem CID118419330
Molecular FormulaC18H14ClN5O3
Molecular Weight383.80 g/mol
Exact Mass383.08
IUPAC Name1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide
SMILESNC(=O)c1ncn(-c2ccc(NC(=O)c3ccccc3Cl)cc2)c1C(N)=O
InChIInChI=1S/C18H14ClN5O3/c19-13-4-2-1-3-12(13)18(27)23-10-5-7-11(8-6-10)24-9-22-14(16(20)25)15(24)17(21)26/h1-9H,(H2,20,25)(H2,21,26)(H,23,27)
InChIKeyHHZJDXLJOBESBD-UHFFFAOYSA-N
XLogP1.98
TPSA133.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419686
1-[4-[(2-chlorobenzoyl)amino]phenyl]-5-N-[3-(4-methylpiperazin-1-yl)propyl]imidazole-4,5-dicarboxamide
CID 118419512
1-[4-[(2-chloro-5-fluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419005
1-[4-[[2-chloro-3-(trifluoromethyl)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419322
1-[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419305
1-[4-[(2-chlorobenzoyl)amino]-3-fluorophenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419872
1-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide
CID 118419406
1-[4-[(4-chloropyridine-3-carbonyl)amino]phenyl]-4-N-ethylimidazole-4,5-dicarboxamide
CID 118419378
1-[4-[(2-fluoro-3-methoxybenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419565
1-[4-[(2-chloro-3,6-difluorobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118418999
1-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-4-N-[2-(dimethylamino)-2-methylpropyl]imidazole-4,5-dicarboxamide
CID 118419425
1-[4-[(4-fluoro-2-iodobenzoyl)amino]phenyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 118419181

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide?
The IUPAC name of 1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide (CID 118419330) is 1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide?
The canonical SMILES for 1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide is NC(=O)c1ncn(-c2ccc(NC(=O)c3ccccc3Cl)cc2)c1C(N)=O.
What is the InChIKey of 1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide?
The InChIKey is HHZJDXLJOBESBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O3/c19-13-4-2-1-3-12(13)18(27)23-10-5-7-11(8-6-10)24-9-22-14(16(20)25)15(24)17(21)26/h1-9H,(H2,20,25)(H2,21,26)(H,23,27).
What are the key properties of 1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide?
1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide has a molecular weight of 383.80 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).