N-butyl-5-[(2,3-dichlorobenzoyl)amino]-2,3-dimethylimidazole-4-carboxamide

C17H20Cl2N4O2 — CID 167841225

IUPACN-butyl-5-[(2,3-dichlorobenzoyl)amino]-2,3-dimethylimidazole-4-carboxamide
SMILESCCCCNC(=O)c1c(NC(=O)c2cccc(Cl)c2Cl)nc(C)n1C
InChIInChI=1S/C17H20Cl2N4O2/c1-4-5-9-20-17(25)14-15(21-10(2)23(14)3)22-16(24)11-7-6-8-12(18)13(11)19/h6-8H,4-5,9H2,1-3H3,(H,20,25)(H,22,24)
InChIKeyZWJBNFZCIMZTSO-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.82
Rot. Bonds6

About N-butyl-5-[(2,3-dichlorobenzoyl)amino]-2,3-dimethylimidazole-4-carboxamide

N-butyl-5-[(2,3-dichlorobenzoyl)amino]-2,3-dimethylimidazole-4-carboxamide (PubChem CID 167841225) has the molecular formula C17H20Cl2N4O2 and a molecular weight of 383.28 g/mol. Its IUPAC name is N-butyl-5-[(2,3-dichlorobenzoyl)amino]-2,3-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[(2,3-dichlorobenzoyl)amino]-2,3-dimethylimidazole-4-carboxamide
PubChem CID167841225
Molecular FormulaC17H20Cl2N4O2
Molecular Weight383.28 g/mol
Exact Mass382.10
IUPAC NameN-butyl-5-[(2,3-dichlorobenzoyl)amino]-2,3-dimethylimidazole-4-carboxamide
SMILESCCCCNC(=O)c1c(NC(=O)c2cccc(Cl)c2Cl)nc(C)n1C
InChIInChI=1S/C17H20Cl2N4O2/c1-4-5-9-20-17(25)14-15(21-10(2)23(14)3)22-16(24)11-7-6-8-12(18)13(11)19/h6-8H,4-5,9H2,1-3H3,(H,20,25)(H,22,24)
InChIKeyZWJBNFZCIMZTSO-UHFFFAOYSA-N
XLogP3.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-[(2,3-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-3-carboxamide
CID 155569704
2,3-dichloro-N-(4-chloropentyl)benzamide
CID 106129757
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
2,3-dichloro-N-(3-iodopropyl)benzamide
CID 114504005
2-chloro-N-undecylbenzamide
CID 3373978
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
CID 26197202
N-(5-bromopentyl)-2,3-dichlorobenzamide
CID 107321695
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
N-[4-[5-[2-(butylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide
CID 2293505
2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411065
N-butyl-5-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dimethylimidazole-4-carboxamide
CID 99800605
3-chloro-2-fluoro-N-tetradecylbenzamide
CID 91722769

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[(2,3-dichlorobenzoyl)amino]-2,3-dimethylimidazole-4-carboxamide?
The IUPAC name of N-butyl-5-[(2,3-dichlorobenzoyl)amino]-2,3-dimethylimidazole-4-carboxamide (CID 167841225) is N-butyl-5-[(2,3-dichlorobenzoyl)amino]-2,3-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-butyl-5-[(2,3-dichlorobenzoyl)amino]-2,3-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-butyl-5-[(2,3-dichlorobenzoyl)amino]-2,3-dimethylimidazole-4-carboxamide is CCCCNC(=O)c1c(NC(=O)c2cccc(Cl)c2Cl)nc(C)n1C.
What is the InChIKey of N-butyl-5-[(2,3-dichlorobenzoyl)amino]-2,3-dimethylimidazole-4-carboxamide?
The InChIKey is ZWJBNFZCIMZTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O2/c1-4-5-9-20-17(25)14-15(21-10(2)23(14)3)22-16(24)11-7-6-8-12(18)13(11)19/h6-8H,4-5,9H2,1-3H3,(H,20,25)(H,22,24).
What are the key properties of N-butyl-5-[(2,3-dichlorobenzoyl)amino]-2,3-dimethylimidazole-4-carboxamide?
N-butyl-5-[(2,3-dichlorobenzoyl)amino]-2,3-dimethylimidazole-4-carboxamide has a molecular weight of 383.28 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[(2,3-dichlorobenzoyl)amino]-2,3-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 167841225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).