N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(2-methylimidazol-1-yl)-2-phenylacetamide

C22H22ClN3O — CID 46974876

IUPACN-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(2-methylimidazol-1-yl)-2-phenylacetamide
SMILESCc1nccn1C(C(=O)NCC1(c2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C22H22ClN3O/c1-16-24-13-14-26(16)20(17-7-3-2-4-8-17)21(27)25-15-22(11-12-22)18-9-5-6-10-19(18)23/h2-10,13-14,20H,11-12,15H2,1H3,(H,25,27)
InChIKeyVWMBOUFKGGKPHP-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.28
Rot. Bonds6

About N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(2-methylimidazol-1-yl)-2-phenylacetamide

N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(2-methylimidazol-1-yl)-2-phenylacetamide (PubChem CID 46974876) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(2-methylimidazol-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(2-methylimidazol-1-yl)-2-phenylacetamide
PubChem CID46974876
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC NameN-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(2-methylimidazol-1-yl)-2-phenylacetamide
SMILESCc1nccn1C(C(=O)NCC1(c2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C22H22ClN3O/c1-16-24-13-14-26(16)20(17-7-3-2-4-8-17)21(27)25-15-22(11-12-22)18-9-5-6-10-19(18)23/h2-10,13-14,20H,11-12,15H2,1H3,(H,25,27)
InChIKeyVWMBOUFKGGKPHP-UHFFFAOYSA-N
XLogP4.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(2-methylimidazol-1-yl)-2-phenylacetamide?
The IUPAC name of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(2-methylimidazol-1-yl)-2-phenylacetamide (CID 46974876) is N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(2-methylimidazol-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(2-methylimidazol-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(2-methylimidazol-1-yl)-2-phenylacetamide is Cc1nccn1C(C(=O)NCC1(c2ccccc2Cl)CC1)c1ccccc1.
What is the InChIKey of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(2-methylimidazol-1-yl)-2-phenylacetamide?
The InChIKey is VWMBOUFKGGKPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-16-24-13-14-26(16)20(17-7-3-2-4-8-17)21(27)25-15-22(11-12-22)18-9-5-6-10-19(18)23/h2-10,13-14,20H,11-12,15H2,1H3,(H,25,27).
What are the key properties of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(2-methylimidazol-1-yl)-2-phenylacetamide?
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(2-methylimidazol-1-yl)-2-phenylacetamide has a molecular weight of 379.89 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(2-methylimidazol-1-yl)-2-phenylacetamide is sourced from PubChem (CID 46974876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).