4,5-dichloro-N-[(4-methylphenyl)methyl]-1H-imidazole-2-carboxamide

C12H11Cl2N3O — CID 54336586

IUPAC4,5-dichloro-N-[(4-methylphenyl)methyl]-1H-imidazole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(Cl)c(Cl)[nH]2)cc1
InChIInChI=1S/C12H11Cl2N3O/c1-7-2-4-8(5-3-7)6-15-12(18)11-16-9(13)10(14)17-11/h2-5H,6H2,1H3,(H,15,18)(H,16,17)
InChIKeyTVXCFKSMGYEKFW-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.95
Rot. Bonds3

About 4,5-dichloro-N-[(4-methylphenyl)methyl]-1H-imidazole-2-carboxamide

4,5-dichloro-N-[(4-methylphenyl)methyl]-1H-imidazole-2-carboxamide (PubChem CID 54336586) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 4,5-dichloro-N-[(4-methylphenyl)methyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[(4-methylphenyl)methyl]-1H-imidazole-2-carboxamide
PubChem CID54336586
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name4,5-dichloro-N-[(4-methylphenyl)methyl]-1H-imidazole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc(Cl)c(Cl)[nH]2)cc1
InChIInChI=1S/C12H11Cl2N3O/c1-7-2-4-8(5-3-7)6-15-12(18)11-16-9(13)10(14)17-11/h2-5H,6H2,1H3,(H,15,18)(H,16,17)
InChIKeyTVXCFKSMGYEKFW-UHFFFAOYSA-N
XLogP2.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66462440
7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 108791679
N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698232
N-[(4-methylphenyl)methyl]-2-[4-[(4-methylphenyl)methylcarbamoyl]-5-propyl-1H-imidazol-2-yl]-5-propyl-1H-imidazole-4-carboxamide
CID 10984079
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
6-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097523
N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3291050
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
N-[(4-chlorophenyl)methyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327781
2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide
CID 59915565
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[(4-methylphenyl)methyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[(4-methylphenyl)methyl]-1H-imidazole-2-carboxamide (CID 54336586) is 4,5-dichloro-N-[(4-methylphenyl)methyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[(4-methylphenyl)methyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[(4-methylphenyl)methyl]-1H-imidazole-2-carboxamide is Cc1ccc(CNC(=O)c2nc(Cl)c(Cl)[nH]2)cc1.
What is the InChIKey of 4,5-dichloro-N-[(4-methylphenyl)methyl]-1H-imidazole-2-carboxamide?
The InChIKey is TVXCFKSMGYEKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-7-2-4-8(5-3-7)6-15-12(18)11-16-9(13)10(14)17-11/h2-5H,6H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4,5-dichloro-N-[(4-methylphenyl)methyl]-1H-imidazole-2-carboxamide?
4,5-dichloro-N-[(4-methylphenyl)methyl]-1H-imidazole-2-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[(4-methylphenyl)methyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 54336586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).