2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetamide

C12H11Cl2N3O — CID 82558466

IUPAC2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H11Cl2N3O/c13-9-3-8(4-10(14)6-9)5-12-16-1-2-17(12)7-11(15)18/h1-4,6H,5,7H2,(H2,15,18)
InChIKeyKFUHGPLMTKHBFZ-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.27
Rot. Bonds4

About 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetamide

2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetamide (PubChem CID 82558466) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetamide
PubChem CID82558466
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H11Cl2N3O/c13-9-3-8(4-10(14)6-9)5-12-16-1-2-17(12)7-11(15)18/h1-4,6H,5,7H2,(H2,15,18)
InChIKeyKFUHGPLMTKHBFZ-UHFFFAOYSA-N
XLogP2.27
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate
CID 82561099
4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558475
1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561962
3-chloro-5-[(1-propylimidazol-2-yl)methyl]benzoic acid
CID 114020606
[4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558528
4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558525
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
2-[(3-bromo-5-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]imidazole
CID 82562006
2-[2-[(3-bromo-4-chlorophenyl)methyl]imidazol-1-yl]acetic acid
CID 82560293
2-[2-(2,5-dichlorophenyl)imidazol-1-yl]acetamide
CID 82559595
2-[2-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 62223227
2-[2-[(4-aminophenyl)methyl]imidazol-1-yl]acetic acid
CID 82558589

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetamide (CID 82558466) is 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetamide?
The InChIKey is KFUHGPLMTKHBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c13-9-3-8(4-10(14)6-9)5-12-16-1-2-17(12)7-11(15)18/h1-4,6H,5,7H2,(H2,15,18).
What are the key properties of 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetamide?
2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetamide has a molecular weight of 284.15 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetamide is sourced from PubChem (CID 82558466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).