3-butyl-4-methyl-2-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazole

C17H22N2 — CID 20777189

IUPAC3-butyl-4-methyl-2-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazole
SMILESCCCCn1c(-c2ccccc2)nc2c1C(C)CC2
InChIInChI=1S/C17H22N2/c1-3-4-12-19-16-13(2)10-11-15(16)18-17(19)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3
InChIKeyBTOQJLGIXFLAPM-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.40
Rot. Bonds4

About 3-butyl-4-methyl-2-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazole

3-butyl-4-methyl-2-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazole (PubChem CID 20777189) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-butyl-4-methyl-2-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazole.

Molecular Properties

Compound Name3-butyl-4-methyl-2-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazole
PubChem CID20777189
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name3-butyl-4-methyl-2-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazole
SMILESCCCCn1c(-c2ccccc2)nc2c1C(C)CC2
InChIInChI=1S/C17H22N2/c1-3-4-12-19-16-13(2)10-11-15(16)18-17(19)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3
InChIKeyBTOQJLGIXFLAPM-UHFFFAOYSA-N
XLogP4.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-methyl-2-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazole?
The IUPAC name of 3-butyl-4-methyl-2-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazole (CID 20777189) is 3-butyl-4-methyl-2-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazole.
What is the SMILES notation for 3-butyl-4-methyl-2-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazole?
The canonical SMILES for 3-butyl-4-methyl-2-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazole is CCCCn1c(-c2ccccc2)nc2c1C(C)CC2.
What is the InChIKey of 3-butyl-4-methyl-2-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazole?
The InChIKey is BTOQJLGIXFLAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-4-12-19-16-13(2)10-11-15(16)18-17(19)14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3.
What are the key properties of 3-butyl-4-methyl-2-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazole?
3-butyl-4-methyl-2-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazole has a molecular weight of 254.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-methyl-2-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazole is sourced from PubChem (CID 20777189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).