2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide

C14H17ClN4O — CID 166270569

IUPAC2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide
SMILESCN(CCn1ccnc1)C(=O)C(N)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4O/c1-18(8-9-19-7-6-17-10-19)14(20)13(16)11-2-4-12(15)5-3-11/h2-7,10,13H,8-9,16H2,1H3
InChIKeyCHUKKFWLLZOWCB-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.69
Rot. Bonds5

About 2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide

2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide (PubChem CID 166270569) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide
PubChem CID166270569
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide
SMILESCN(CCn1ccnc1)C(=O)C(N)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4O/c1-18(8-9-19-7-6-17-10-19)14(20)13(16)11-2-4-12(15)5-3-11/h2-7,10,13H,8-9,16H2,1H3
InChIKeyCHUKKFWLLZOWCB-UHFFFAOYSA-N
XLogP1.69
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide
CID 72842125
3-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methyl-3-phenylpropanamide
CID 45183065
2-amino-2-(4-chlorophenyl)-N-methylacetohydrazide
CID 116848886
3-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-(2-imidazol-1-ylethyl)-1-methylurea
CID 125439891
N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide
CID 95908382
(3R)-3-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-3-pyrrol-1-ylpropanamide
CID 124873986
2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669271
ethyl (2S)-2-amino-2-(4-chlorophenyl)acetate
CID 31882253
ethyl (2R)-2-amino-2-(4-chlorophenyl)acetate
CID 31882254
3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide
CID 110204989
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea
CID 110893650
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide?
The IUPAC name of 2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide (CID 166270569) is 2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide.
What is the SMILES notation for 2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide?
The canonical SMILES for 2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide is CN(CCn1ccnc1)C(=O)C(N)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide?
The InChIKey is CHUKKFWLLZOWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-18(8-9-19-7-6-17-10-19)14(20)13(16)11-2-4-12(15)5-3-11/h2-7,10,13H,8-9,16H2,1H3.
What are the key properties of 2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide?
2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide has a molecular weight of 292.77 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chlorophenyl)-N-(2-imidazol-1-ylethyl)-N-methylacetamide is sourced from PubChem (CID 166270569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).