N-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide

C11H11ClN4O — CID 114022425

IUPACN-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2ccc(N)cc2Cl)c1
InChIInChI=1S/C11H11ClN4O/c1-16-5-10(14-6-16)11(17)15-9-3-2-7(13)4-8(9)12/h2-6H,13H2,1H3,(H,15,17)
InChIKeyJEZSMKSSUWTDCY-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.91
Rot. Bonds2

About N-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide

N-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide (PubChem CID 114022425) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide
PubChem CID114022425
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC NameN-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2ccc(N)cc2Cl)c1
InChIInChI=1S/C11H11ClN4O/c1-16-5-10(14-6-16)11(17)15-9-3-2-7(13)4-8(9)12/h2-6H,13H2,1H3,(H,15,17)
InChIKeyJEZSMKSSUWTDCY-UHFFFAOYSA-N
XLogP1.91
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120705
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1-methylimidazole-4-carboxamide
CID 107974092
methyl 5-methyl-2-[(1-methylimidazole-4-carbonyl)amino]benzoate
CID 103859709
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-carboxamide
CID 107970959
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 16785445
N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 103860189
N-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 114022445
N-[2-(1-chloroethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107975038
N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide
CID 114818567
N-[2-(1-bromoethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107975155
methyl 2-[(1-methylimidazole-4-carbonyl)amino]benzoate
CID 103858088

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide (CID 114022425) is N-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)Nc2ccc(N)cc2Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide?
The InChIKey is JEZSMKSSUWTDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-16-5-10(14-6-16)11(17)15-9-3-2-7(13)4-8(9)12/h2-6H,13H2,1H3,(H,15,17).
What are the key properties of N-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide?
N-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 114022425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).