2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylindole

C17H15N3 — CID 10220854

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylindole
SMILESc1ccc(-n2c(C3=NCCN3)cc3ccccc32)cc1
InChIInChI=1S/C17H15N3/c1-2-7-14(8-3-1)20-15-9-5-4-6-13(15)12-16(20)17-18-10-11-19-17/h1-9,12H,10-11H2,(H,18,19)
InChIKeyXUIUIZMIIPNHIJ-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.98
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylindole

2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylindole (PubChem CID 10220854) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylindole.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylindole
PubChem CID10220854
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylindole
SMILESc1ccc(-n2c(C3=NCCN3)cc3ccccc32)cc1
InChIInChI=1S/C17H15N3/c1-2-7-14(8-3-1)20-15-9-5-4-6-13(15)12-16(20)17-18-10-11-19-17/h1-9,12H,10-11H2,(H,18,19)
InChIKeyXUIUIZMIIPNHIJ-UHFFFAOYSA-N
XLogP2.98
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylindole?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylindole (CID 10220854) is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylindole.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylindole?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylindole is c1ccc(-n2c(C3=NCCN3)cc3ccccc32)cc1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylindole?
The InChIKey is XUIUIZMIIPNHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-2-7-14(8-3-1)20-15-9-5-4-6-13(15)12-16(20)17-18-10-11-19-17/h1-9,12H,10-11H2,(H,18,19).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylindole?
2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylindole has a molecular weight of 261.33 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylindole is sourced from PubChem (CID 10220854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).