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

C16H20ClN3O — CID 42819003

IUPACN-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(Cc1nccn1Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C16H20ClN3O/c1-12(2)20(13(3)21)11-16-18-7-8-19(16)10-14-5-4-6-15(17)9-14/h4-9,12H,10-11H2,1-3H3
InChIKeyWLCNXTAJYOOHEK-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.34
Rot. Bonds5

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

N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide (PubChem CID 42819003) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide
PubChem CID42819003
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(Cc1nccn1Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C16H20ClN3O/c1-12(2)20(13(3)21)11-16-18-7-8-19(16)10-14-5-4-6-15(17)9-14/h4-9,12H,10-11H2,1-3H3
InChIKeyWLCNXTAJYOOHEK-UHFFFAOYSA-N
XLogP3.34
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-methylacetamide
CID 42819011
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-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 24712897
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 24715477
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
3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide
CID 166218702
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
CID 42818844
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

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide?
The IUPAC name of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide (CID 42819003) is N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide is CC(=O)N(Cc1nccn1Cc1cccc(Cl)c1)C(C)C.
What is the InChIKey of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide?
The InChIKey is WLCNXTAJYOOHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-12(2)20(13(3)21)11-16-18-7-8-19(16)10-14-5-4-6-15(17)9-14/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide?
N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylacetamide has a molecular weight of 305.81 g/mol, XLogP of 3.34, 5 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-propan-2-ylacetamide is sourced from PubChem (CID 42819003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).