N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide

C14H16ClN3O — CID 42819011

IUPACN-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1nccn1Cc1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O/c1-11(19)17(2)10-14-16-6-7-18(14)9-12-4-3-5-13(15)8-12/h3-8H,9-10H2,1-2H3
InChIKeyPXAMWDTXPYSTGH-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.56
Rot. Bonds4

About N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide

N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide (PubChem CID 42819011) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide
PubChem CID42819011
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC NameN-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1nccn1Cc1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3O/c1-11(19)17(2)10-14-16-6-7-18(14)9-12-4-3-5-13(15)8-12/h3-8H,9-10H2,1-2H3
InChIKeyPXAMWDTXPYSTGH-UHFFFAOYSA-N
XLogP2.56
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide
CID 42819003
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]propanamide
CID 144709444
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-3-phenylpropanamide
CID 42819032
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 42819048
N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 42819588
1-[(3-chlorophenyl)methyl]-N-ethylimidazol-2-amine
CID 106570141
1-[(3-chlorophenyl)methyl]-2-iodoimidazole
CID 131631931
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 42819044
N-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide
CID 71988778
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 24715477
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide
CID 131901666

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide (CID 42819011) is N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1nccn1Cc1cccc(Cl)c1.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide?
The InChIKey is PXAMWDTXPYSTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-11(19)17(2)10-14-16-6-7-18(14)9-12-4-3-5-13(15)8-12/h3-8H,9-10H2,1-2H3.
What are the key properties of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide?
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide has a molecular weight of 277.76 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 42819011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).