N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

C19H24F3N5O — CID 24683970

IUPACN-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCn1ccnc1C(NC(=O)CN1CCN(CC(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C19H24F3N5O/c1-25-8-7-23-18(25)17(15-5-3-2-4-6-15)24-16(28)13-26-9-11-27(12-10-26)14-19(20,21)22/h2-8,17H,9-14H2,1H3,(H,24,28)
InChIKeyYZFRKWKOLHFCDZ-UHFFFAOYSA-N
MW395.43 g/mol
LogP1.81
Rot. Bonds6

About N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (PubChem CID 24683970) has the molecular formula C19H24F3N5O and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
PubChem CID24683970
Molecular FormulaC19H24F3N5O
Molecular Weight395.43 g/mol
Exact Mass395.19
IUPAC NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCn1ccnc1C(NC(=O)CN1CCN(CC(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C19H24F3N5O/c1-25-8-7-23-18(25)17(15-5-3-2-4-6-15)24-16(28)13-26-9-11-27(12-10-26)14-19(20,21)22/h2-8,17H,9-14H2,1H3,(H,24,28)
InChIKeyYZFRKWKOLHFCDZ-UHFFFAOYSA-N
XLogP1.81
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
2-(4,5-dimethylimidazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 90647674
4-(azepan-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 90652611
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 17424139
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 40792493
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
2-(2-fluorophenoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25367645
2-(3-fluorophenoxy)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 17395739
2-(3-cyano-1,2,4-triazol-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 42933607

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (CID 24683970) is N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is Cn1ccnc1C(NC(=O)CN1CCN(CC(F)(F)F)CC1)c1ccccc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The InChIKey is YZFRKWKOLHFCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O/c1-25-8-7-23-18(25)17(15-5-3-2-4-6-15)24-16(28)13-26-9-11-27(12-10-26)14-19(20,21)22/h2-8,17H,9-14H2,1H3,(H,24,28).
What are the key properties of N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide has a molecular weight of 395.43 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24683970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).