1-[(4-aminophenyl)methyl]-N-(3-chloro-4-methylphenyl)imidazole-4-carboxamide

C18H17ClN4O — CID 53491086

IUPAC1-[(4-aminophenyl)methyl]-N-(3-chloro-4-methylphenyl)imidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn(Cc3ccc(N)cc3)cn2)cc1Cl
InChIInChI=1S/C18H17ClN4O/c1-12-2-7-15(8-16(12)19)22-18(24)17-10-23(11-21-17)9-13-3-5-14(20)6-4-13/h2-8,10-11H,9,20H2,1H3,(H,22,24)
InChIKeyZJYKQKKFVSMKMI-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.73
Rot. Bonds4

About 1-[(4-aminophenyl)methyl]-N-(3-chloro-4-methylphenyl)imidazole-4-carboxamide

1-[(4-aminophenyl)methyl]-N-(3-chloro-4-methylphenyl)imidazole-4-carboxamide (PubChem CID 53491086) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-[(4-aminophenyl)methyl]-N-(3-chloro-4-methylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4-aminophenyl)methyl]-N-(3-chloro-4-methylphenyl)imidazole-4-carboxamide
PubChem CID53491086
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name1-[(4-aminophenyl)methyl]-N-(3-chloro-4-methylphenyl)imidazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cn(Cc3ccc(N)cc3)cn2)cc1Cl
InChIInChI=1S/C18H17ClN4O/c1-12-2-7-15(8-16(12)19)22-18(24)17-10-23(11-21-17)9-13-3-5-14(20)6-4-13/h2-8,10-11H,9,20H2,1H3,(H,22,24)
InChIKeyZJYKQKKFVSMKMI-UHFFFAOYSA-N
XLogP3.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(4-aminophenyl)methyl]imidazole-4-carboxylic acid
CID 97032468
1-(2-aminoethyl)-N-(3-bromo-4-methylphenyl)imidazole-4-carboxamide
CID 84605534
1-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 107495701
2-[(4-aminophenyl)methylsulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 94804216
3-[(3-chloro-4-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498199
1-(2-aminoethyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-carboxamide
CID 107498340
5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913
N-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide
CID 35534416
2-[3-[(3-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500163
N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide
CID 110475458
N-(3-chloro-4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188558
N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181317

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminophenyl)methyl]-N-(3-chloro-4-methylphenyl)imidazole-4-carboxamide?
The IUPAC name of 1-[(4-aminophenyl)methyl]-N-(3-chloro-4-methylphenyl)imidazole-4-carboxamide (CID 53491086) is 1-[(4-aminophenyl)methyl]-N-(3-chloro-4-methylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-[(4-aminophenyl)methyl]-N-(3-chloro-4-methylphenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-[(4-aminophenyl)methyl]-N-(3-chloro-4-methylphenyl)imidazole-4-carboxamide is Cc1ccc(NC(=O)c2cn(Cc3ccc(N)cc3)cn2)cc1Cl.
What is the InChIKey of 1-[(4-aminophenyl)methyl]-N-(3-chloro-4-methylphenyl)imidazole-4-carboxamide?
The InChIKey is ZJYKQKKFVSMKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-12-2-7-15(8-16(12)19)22-18(24)17-10-23(11-21-17)9-13-3-5-14(20)6-4-13/h2-8,10-11H,9,20H2,1H3,(H,22,24).
What are the key properties of 1-[(4-aminophenyl)methyl]-N-(3-chloro-4-methylphenyl)imidazole-4-carboxamide?
1-[(4-aminophenyl)methyl]-N-(3-chloro-4-methylphenyl)imidazole-4-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminophenyl)methyl]-N-(3-chloro-4-methylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 53491086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).