N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-(5-phenyl-1H-imidazol-2-yl)propanamide

C25H30FN5O — CID 44595494

IUPACN-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-(5-phenyl-1H-imidazol-2-yl)propanamide
SMILESCC(C(=O)NCCN1CCN(Cc2ccccc2F)CC1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C25H30FN5O/c1-19(24-28-17-23(29-24)20-7-3-2-4-8-20)25(32)27-11-12-30-13-15-31(16-14-30)18-21-9-5-6-10-22(21)26/h2-10,17,19H,11-16,18H2,1H3,(H,27,32)(H,28,29)
InChIKeyQNTKSQNPWFFUBW-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.25
Rot. Bonds8

About N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-(5-phenyl-1H-imidazol-2-yl)propanamide

N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-(5-phenyl-1H-imidazol-2-yl)propanamide (PubChem CID 44595494) has the molecular formula C25H30FN5O and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-(5-phenyl-1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-(5-phenyl-1H-imidazol-2-yl)propanamide
PubChem CID44595494
Molecular FormulaC25H30FN5O
Molecular Weight435.55 g/mol
Exact Mass435.24
IUPAC NameN-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-(5-phenyl-1H-imidazol-2-yl)propanamide
SMILESCC(C(=O)NCCN1CCN(Cc2ccccc2F)CC1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C25H30FN5O/c1-19(24-28-17-23(29-24)20-7-3-2-4-8-20)25(32)27-11-12-30-13-15-31(16-14-30)18-21-9-5-6-10-22(21)26/h2-10,17,19H,11-16,18H2,1H3,(H,27,32)(H,28,29)
InChIKeyQNTKSQNPWFFUBW-UHFFFAOYSA-N
XLogP3.25
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-(5-phenyl-1H-imidazol-2-yl)propanamide?
The IUPAC name of N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-(5-phenyl-1H-imidazol-2-yl)propanamide (CID 44595494) is N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-(5-phenyl-1H-imidazol-2-yl)propanamide.
What is the SMILES notation for N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-(5-phenyl-1H-imidazol-2-yl)propanamide?
The canonical SMILES for N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-(5-phenyl-1H-imidazol-2-yl)propanamide is CC(C(=O)NCCN1CCN(Cc2ccccc2F)CC1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-(5-phenyl-1H-imidazol-2-yl)propanamide?
The InChIKey is QNTKSQNPWFFUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O/c1-19(24-28-17-23(29-24)20-7-3-2-4-8-20)25(32)27-11-12-30-13-15-31(16-14-30)18-21-9-5-6-10-22(21)26/h2-10,17,19H,11-16,18H2,1H3,(H,27,32)(H,28,29).
What are the key properties of N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-(5-phenyl-1H-imidazol-2-yl)propanamide?
N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-(5-phenyl-1H-imidazol-2-yl)propanamide has a molecular weight of 435.55 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]-2-(5-phenyl-1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 44595494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).