3-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]-1H-imidazol-2-one

C25H23N3O — CID 59316380

IUPAC3-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1cccc(-c2ccc(CNC3Cc4ccccc4C3)cc2)c1
InChIInChI=1S/C25H23N3O/c29-25-26-12-13-28(25)24-7-3-6-22(16-24)19-10-8-18(9-11-19)17-27-23-14-20-4-1-2-5-21(20)15-23/h1-13,16,23,27H,14-15,17H2,(H,26,29)
InChIKeyHTASNCGVMUHHDP-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.09
Rot. Bonds5

About 3-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]-1H-imidazol-2-one

3-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]-1H-imidazol-2-one (PubChem CID 59316380) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]-1H-imidazol-2-one
PubChem CID59316380
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name3-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1cccc(-c2ccc(CNC3Cc4ccccc4C3)cc2)c1
InChIInChI=1S/C25H23N3O/c29-25-26-12-13-28(25)24-7-3-6-22(16-24)19-10-8-18(9-11-19)17-27-23-14-20-4-1-2-5-21(20)15-23/h1-13,16,23,27H,14-15,17H2,(H,26,29)
InChIKeyHTASNCGVMUHHDP-UHFFFAOYSA-N
XLogP4.09
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]-1H-imidazol-2-one (CID 59316380) is 3-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]-1H-imidazol-2-one is O=c1[nH]ccn1-c1cccc(-c2ccc(CNC3Cc4ccccc4C3)cc2)c1.
What is the InChIKey of 3-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]-1H-imidazol-2-one?
The InChIKey is HTASNCGVMUHHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c29-25-26-12-13-28(25)24-7-3-6-22(16-24)19-10-8-18(9-11-19)17-27-23-14-20-4-1-2-5-21(20)15-23/h1-13,16,23,27H,14-15,17H2,(H,26,29).
What are the key properties of 3-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]-1H-imidazol-2-one?
3-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]-1H-imidazol-2-one has a molecular weight of 381.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 59316380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).