[2-(4-chlorophenyl)cyclopentyl]-[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]methanone

C26H25ClN2O — CID 3679120

IUPAC[2-(4-chlorophenyl)cyclopentyl]-[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(C1CCCC1c1ccc(Cl)cc1)N1CCN=C1Cc1cccc2ccccc12
InChIInChI=1S/C26H25ClN2O/c27-21-13-11-19(12-14-21)23-9-4-10-24(23)26(30)29-16-15-28-25(29)17-20-7-3-6-18-5-1-2-8-22(18)20/h1-3,5-8,11-14,23-24H,4,9-10,15-17H2
InChIKeyHLPFHHVQRDDGTI-UHFFFAOYSA-N
MW416.95 g/mol
LogP5.86
Rot. Bonds4

About [2-(4-chlorophenyl)cyclopentyl]-[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]methanone

[2-(4-chlorophenyl)cyclopentyl]-[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 3679120) has the molecular formula C26H25ClN2O and a molecular weight of 416.95 g/mol. Its IUPAC name is [2-(4-chlorophenyl)cyclopentyl]-[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)cyclopentyl]-[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]methanone
PubChem CID3679120
Molecular FormulaC26H25ClN2O
Molecular Weight416.95 g/mol
Exact Mass416.17
IUPAC Name[2-(4-chlorophenyl)cyclopentyl]-[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]methanone
SMILESO=C(C1CCCC1c1ccc(Cl)cc1)N1CCN=C1Cc1cccc2ccccc12
InChIInChI=1S/C26H25ClN2O/c27-21-13-11-19(12-14-21)23-9-4-10-24(23)26(30)29-16-15-28-25(29)17-20-7-3-6-18-5-1-2-8-22(18)20/h1-3,5-8,11-14,23-24H,4,9-10,15-17H2
InChIKeyHLPFHHVQRDDGTI-UHFFFAOYSA-N
XLogP5.86
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.95
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)cyclopentyl]-[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of [2-(4-chlorophenyl)cyclopentyl]-[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]methanone (CID 3679120) is [2-(4-chlorophenyl)cyclopentyl]-[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for [2-(4-chlorophenyl)cyclopentyl]-[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for [2-(4-chlorophenyl)cyclopentyl]-[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]methanone is O=C(C1CCCC1c1ccc(Cl)cc1)N1CCN=C1Cc1cccc2ccccc12.
What is the InChIKey of [2-(4-chlorophenyl)cyclopentyl]-[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is HLPFHHVQRDDGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O/c27-21-13-11-19(12-14-21)23-9-4-10-24(23)26(30)29-16-15-28-25(29)17-20-7-3-6-18-5-1-2-8-22(18)20/h1-3,5-8,11-14,23-24H,4,9-10,15-17H2.
What are the key properties of [2-(4-chlorophenyl)cyclopentyl]-[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]methanone?
[2-(4-chlorophenyl)cyclopentyl]-[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 416.95 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)cyclopentyl]-[2-(naphthalen-1-ylmethyl)-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 3679120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).