N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-2,3-dihydro-1H-inden-5-amine

C25H23N3 — CID 44569195

IUPACN-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-2,3-dihydro-1H-inden-5-amine
SMILESc1ccc(C(c2ccc(Nc3ccc4c(c3)CCC4)cc2)n2ccnc2)cc1
InChIInChI=1S/C25H23N3/c1-2-5-20(6-3-1)25(28-16-15-26-18-28)21-10-12-23(13-11-21)27-24-14-9-19-7-4-8-22(19)17-24/h1-3,5-6,9-18,25,27H,4,7-8H2
InChIKeyGVCAGSUKJPDAPR-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.75
Rot. Bonds5

About N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-2,3-dihydro-1H-inden-5-amine

N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 44569195) has the molecular formula C25H23N3 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID44569195
Molecular FormulaC25H23N3
Molecular Weight365.48 g/mol
Exact Mass365.19
IUPAC NameN-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-2,3-dihydro-1H-inden-5-amine
SMILESc1ccc(C(c2ccc(Nc3ccc4c(c3)CCC4)cc2)n2ccnc2)cc1
InChIInChI=1S/C25H23N3/c1-2-5-20(6-3-1)25(28-16-15-26-18-28)21-10-12-23(13-11-21)27-24-14-9-19-7-4-8-22(19)17-24/h1-3,5-6,9-18,25,27H,4,7-8H2
InChIKeyGVCAGSUKJPDAPR-UHFFFAOYSA-N
XLogP5.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-2,3-dihydro-1H-inden-5-amine (CID 44569195) is N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-2,3-dihydro-1H-inden-5-amine is c1ccc(C(c2ccc(Nc3ccc4c(c3)CCC4)cc2)n2ccnc2)cc1.
What is the InChIKey of N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is GVCAGSUKJPDAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3/c1-2-5-20(6-3-1)25(28-16-15-26-18-28)21-10-12-23(13-11-21)27-24-14-9-19-7-4-8-22(19)17-24/h1-3,5-6,9-18,25,27H,4,7-8H2.
What are the key properties of N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-2,3-dihydro-1H-inden-5-amine?
N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 365.48 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[imidazol-1-yl(phenyl)methyl]phenyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 44569195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).