2-phenyl-1,4,5,6-tetrahydrocyclopenta[d]imidazole

C12H12N2 — CID 141264099

IUPAC2-phenyl-1,4,5,6-tetrahydrocyclopenta[d]imidazole
SMILESc1ccc(-c2nc3c([nH]2)CCC3)cc1
InChIInChI=1S/C12H12N2/c1-2-5-9(6-3-1)12-13-10-7-4-8-11(10)14-12/h1-3,5-6H,4,7-8H2,(H,13,14)
InChIKeyWODPSKYKLUTRKH-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.57
Rot. Bonds1

About 2-phenyl-1,4,5,6-tetrahydrocyclopenta[d]imidazole

2-phenyl-1,4,5,6-tetrahydrocyclopenta[d]imidazole (PubChem CID 141264099) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-phenyl-1,4,5,6-tetrahydrocyclopenta[d]imidazole.

Molecular Properties

Compound Name2-phenyl-1,4,5,6-tetrahydrocyclopenta[d]imidazole
PubChem CID141264099
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2-phenyl-1,4,5,6-tetrahydrocyclopenta[d]imidazole
SMILESc1ccc(-c2nc3c([nH]2)CCC3)cc1
InChIInChI=1S/C12H12N2/c1-2-5-9(6-3-1)12-13-10-7-4-8-11(10)14-12/h1-3,5-6H,4,7-8H2,(H,13,14)
InChIKeyWODPSKYKLUTRKH-UHFFFAOYSA-N
XLogP2.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,4,5,6-tetrahydrocyclopenta[d]imidazole?
The IUPAC name of 2-phenyl-1,4,5,6-tetrahydrocyclopenta[d]imidazole (CID 141264099) is 2-phenyl-1,4,5,6-tetrahydrocyclopenta[d]imidazole.
What is the SMILES notation for 2-phenyl-1,4,5,6-tetrahydrocyclopenta[d]imidazole?
The canonical SMILES for 2-phenyl-1,4,5,6-tetrahydrocyclopenta[d]imidazole is c1ccc(-c2nc3c([nH]2)CCC3)cc1.
What is the InChIKey of 2-phenyl-1,4,5,6-tetrahydrocyclopenta[d]imidazole?
The InChIKey is WODPSKYKLUTRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-5-9(6-3-1)12-13-10-7-4-8-11(10)14-12/h1-3,5-6H,4,7-8H2,(H,13,14).
What are the key properties of 2-phenyl-1,4,5,6-tetrahydrocyclopenta[d]imidazole?
2-phenyl-1,4,5,6-tetrahydrocyclopenta[d]imidazole has a molecular weight of 184.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,4,5,6-tetrahydrocyclopenta[d]imidazole is sourced from PubChem (CID 141264099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).