2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole

C18H18N2 — CID 2747

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IUPAC2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole
SMILESc1ccc(C2(c3ccccc3)CC2C2=NCCN2)cc1
InChIInChI=1S/C18H18N2/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)13-16(18)17-19-11-12-20-17/h1-10,16H,11-13H2,(H,19,20)
InChIKeyIPOBOOXFSRWSHL-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.99
Rot. Bonds3

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

2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole (PubChem CID 2747) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole
PubChem CID2747
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole
SMILESc1ccc(C2(c3ccccc3)CC2C2=NCCN2)cc1
InChIInChI=1S/C18H18N2/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)13-16(18)17-19-11-12-20-17/h1-10,16H,11-13H2,(H,19,20)
InChIKeyIPOBOOXFSRWSHL-UHFFFAOYSA-N
XLogP2.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole (CID 2747) is 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole is c1ccc(C2(c3ccccc3)CC2C2=NCCN2)cc1.
What is the InChIKey of 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole?
The InChIKey is IPOBOOXFSRWSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)13-16(18)17-19-11-12-20-17/h1-10,16H,11-13H2,(H,19,20).
What are the key properties of 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole?
2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole has a molecular weight of 262.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylcyclopropyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 2747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).