5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole

C13H14N2 — CID 10703123

IUPAC5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESC1=NCC(CC2=Cc3ccccc3C2)N1
InChIInChI=1S/C13H14N2/c1-2-4-12-6-10(5-11(12)3-1)7-13-8-14-9-15-13/h1-5,9,13H,6-8H2,(H,14,15)
InChIKeyGUPWRPLQLXQSFV-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.02
Rot. Bonds2

About 5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole

5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole (PubChem CID 10703123) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole
PubChem CID10703123
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESC1=NCC(CC2=Cc3ccccc3C2)N1
InChIInChI=1S/C13H14N2/c1-2-4-12-6-10(5-11(12)3-1)7-13-8-14-9-15-13/h1-5,9,13H,6-8H2,(H,14,15)
InChIKeyGUPWRPLQLXQSFV-UHFFFAOYSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole (CID 10703123) is 5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole is C1=NCC(CC2=Cc3ccccc3C2)N1.
What is the InChIKey of 5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is GUPWRPLQLXQSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-4-12-6-10(5-11(12)3-1)7-13-8-14-9-15-13/h1-5,9,13H,6-8H2,(H,14,15).
What are the key properties of 5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole?
5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 198.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-inden-2-ylmethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10703123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).