N-[[2,6-difluoro-4-[3-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine

C25H21F2N3 — CID 24863566

IUPACN-[[2,6-difluoro-4-[3-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESFc1cc(-c2cccc(-c3ncc[nH]3)c2)cc(F)c1CNC1Cc2ccccc2C1
InChIInChI=1S/C25H21F2N3/c26-23-13-20(16-6-3-7-19(10-16)25-28-8-9-29-25)14-24(27)22(23)15-30-21-11-17-4-1-2-5-18(17)12-21/h1-10,13-14,21,30H,11-12,15H2,(H,28,29)
InChIKeyMOYCWDZOLLBKSN-UHFFFAOYSA-N
MW401.46 g/mol
LogP5.28
Rot. Bonds5

About N-[[2,6-difluoro-4-[3-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine

N-[[2,6-difluoro-4-[3-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 24863566) has the molecular formula C25H21F2N3 and a molecular weight of 401.46 g/mol. Its IUPAC name is N-[[2,6-difluoro-4-[3-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[[2,6-difluoro-4-[3-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID24863566
Molecular FormulaC25H21F2N3
Molecular Weight401.46 g/mol
Exact Mass401.17
IUPAC NameN-[[2,6-difluoro-4-[3-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine
SMILESFc1cc(-c2cccc(-c3ncc[nH]3)c2)cc(F)c1CNC1Cc2ccccc2C1
InChIInChI=1S/C25H21F2N3/c26-23-13-20(16-6-3-7-19(10-16)25-28-8-9-29-25)14-24(27)22(23)15-30-21-11-17-4-1-2-5-18(17)12-21/h1-10,13-14,21,30H,11-12,15H2,(H,28,29)
InChIKeyMOYCWDZOLLBKSN-UHFFFAOYSA-N
XLogP5.28
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.46
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2,6-difluoro-4-[3-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[[2,6-difluoro-4-[3-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine (CID 24863566) is N-[[2,6-difluoro-4-[3-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[[2,6-difluoro-4-[3-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[[2,6-difluoro-4-[3-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine is Fc1cc(-c2cccc(-c3ncc[nH]3)c2)cc(F)c1CNC1Cc2ccccc2C1.
What is the InChIKey of N-[[2,6-difluoro-4-[3-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is MOYCWDZOLLBKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3/c26-23-13-20(16-6-3-7-19(10-16)25-28-8-9-29-25)14-24(27)22(23)15-30-21-11-17-4-1-2-5-18(17)12-21/h1-10,13-14,21,30H,11-12,15H2,(H,28,29).
What are the key properties of N-[[2,6-difluoro-4-[3-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine?
N-[[2,6-difluoro-4-[3-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 401.46 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,6-difluoro-4-[3-(1H-imidazol-2-yl)phenyl]phenyl]methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 24863566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).