N-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide

C11H9Cl2N3O — CID 141124421

IUPACN-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1cnc[nH]1
InChIInChI=1S/C11H9Cl2N3O/c12-8-2-1-7(3-9(8)13)4-15-11(17)10-5-14-6-16-10/h1-3,5-6H,4H2,(H,14,16)(H,15,17)
InChIKeyIMEHFCDNAOKGTJ-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.65
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide

N-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide (PubChem CID 141124421) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide
PubChem CID141124421
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1cnc[nH]1
InChIInChI=1S/C11H9Cl2N3O/c12-8-2-1-7(3-9(8)13)4-15-11(17)10-5-14-6-16-10/h1-3,5-6H,4H2,(H,14,16)(H,15,17)
InChIKeyIMEHFCDNAOKGTJ-UHFFFAOYSA-N
XLogP2.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 69360089
N-[(3,4-dichlorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 118716752
N-[2-[5-(3,4-dichlorophenyl)furan-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 67172553
5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide
CID 70492189
2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3460813
2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid
CID 157035965
N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684075
N-[(3,4-dichlorophenyl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4159508
N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 70605698
N-[(4-carbamothioylphenyl)methyl]-3,4-dichlorobenzamide
CID 62311218
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66484344
2-[(3,4-dichlorophenyl)methylamino]oxyacetic acid
CID 23499557

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide (CID 141124421) is N-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide is O=C(NCc1ccc(Cl)c(Cl)c1)c1cnc[nH]1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide?
The InChIKey is IMEHFCDNAOKGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c12-8-2-1-7(3-9(8)13)4-15-11(17)10-5-14-6-16-10/h1-3,5-6H,4H2,(H,14,16)(H,15,17).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide has a molecular weight of 270.12 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 141124421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).