2-tert-butyl-3-[(4-chlorophenyl)methyl]-5,6-dihydrocyclopenta[d]imidazol-4-one

C17H19ClN2O — CID 58460143

IUPAC2-tert-butyl-3-[(4-chlorophenyl)methyl]-5,6-dihydrocyclopenta[d]imidazol-4-one
SMILESCC(C)(C)c1nc2c(n1Cc1ccc(Cl)cc1)C(=O)CC2
InChIInChI=1S/C17H19ClN2O/c1-17(2,3)16-19-13-8-9-14(21)15(13)20(16)10-11-4-6-12(18)7-5-11/h4-7H,8-10H2,1-3H3
InChIKeyGDPLAQNWSVZKNR-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.01
Rot. Bonds2

About 2-tert-butyl-3-[(4-chlorophenyl)methyl]-5,6-dihydrocyclopenta[d]imidazol-4-one

2-tert-butyl-3-[(4-chlorophenyl)methyl]-5,6-dihydrocyclopenta[d]imidazol-4-one (PubChem CID 58460143) has the molecular formula C17H19ClN2O and a molecular weight of 302.80 g/mol. Its IUPAC name is 2-tert-butyl-3-[(4-chlorophenyl)methyl]-5,6-dihydrocyclopenta[d]imidazol-4-one.

Molecular Properties

Compound Name2-tert-butyl-3-[(4-chlorophenyl)methyl]-5,6-dihydrocyclopenta[d]imidazol-4-one
PubChem CID58460143
Molecular FormulaC17H19ClN2O
Molecular Weight302.80 g/mol
Exact Mass302.12
IUPAC Name2-tert-butyl-3-[(4-chlorophenyl)methyl]-5,6-dihydrocyclopenta[d]imidazol-4-one
SMILESCC(C)(C)c1nc2c(n1Cc1ccc(Cl)cc1)C(=O)CC2
InChIInChI=1S/C17H19ClN2O/c1-17(2,3)16-19-13-8-9-14(21)15(13)20(16)10-11-4-6-12(18)7-5-11/h4-7H,8-10H2,1-3H3
InChIKeyGDPLAQNWSVZKNR-UHFFFAOYSA-N
XLogP4.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzyl)-N-(diaminomethylene)-5-methyl-1H-imidazole-4-carboxamide
CID 51346899
US9890166, Example 28
CID 86567506
6-(4-chlorophenyl)-2-cyclopentyl-5-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-isopropyl-5,6-dihydropyrrolo[3,4-d]imidazol-4(1H)-one
CID 86567569
1-[(4-Chlorophenyl)methyl]-5-methylimidazole-4-carboxamide
CID 2821798
4-Chlorophenyl pyrrolidino[1,2-a]imidazol-3-yl ketone
CID 3929589
2-Butyl-3-[(2-chlorophenyl)methyl]-5-(trifluoromethyl)imidazole-4-carbaldehyde
CID 19802793
2-Butyl-3-[(2-chlorophenyl)methyl]-5-(2,2,2-trifluoroethyl)imidazole-4-carbaldehyde
CID 19936758
2-Butyl-3-[(2-chlorophenyl)methyl]-5-(1,1,2-trifluoroethyl)imidazole-4-carbaldehyde
CID 88123232
1-[3-(5-Chloro-2-fluorophenyl)-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]ethanone
CID 89797113
1-[5-Ethyl-3-[(2-fluoro-4-methylphenyl)methyl]-2-propylimidazol-4-yl]ethanone
CID 141820080
1-[3-Benzyl-2-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-2,2,2-trifluoroethanone
CID 101014553
1-[3-(4-chloro-2-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]ethanone
CID 145538652

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-[(4-chlorophenyl)methyl]-5,6-dihydrocyclopenta[d]imidazol-4-one?
The IUPAC name of 2-tert-butyl-3-[(4-chlorophenyl)methyl]-5,6-dihydrocyclopenta[d]imidazol-4-one (CID 58460143) is 2-tert-butyl-3-[(4-chlorophenyl)methyl]-5,6-dihydrocyclopenta[d]imidazol-4-one.
What is the SMILES notation for 2-tert-butyl-3-[(4-chlorophenyl)methyl]-5,6-dihydrocyclopenta[d]imidazol-4-one?
The canonical SMILES for 2-tert-butyl-3-[(4-chlorophenyl)methyl]-5,6-dihydrocyclopenta[d]imidazol-4-one is CC(C)(C)c1nc2c(n1Cc1ccc(Cl)cc1)C(=O)CC2.
What is the InChIKey of 2-tert-butyl-3-[(4-chlorophenyl)methyl]-5,6-dihydrocyclopenta[d]imidazol-4-one?
The InChIKey is GDPLAQNWSVZKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-17(2,3)16-19-13-8-9-14(21)15(13)20(16)10-11-4-6-12(18)7-5-11/h4-7H,8-10H2,1-3H3.
What are the key properties of 2-tert-butyl-3-[(4-chlorophenyl)methyl]-5,6-dihydrocyclopenta[d]imidazol-4-one?
2-tert-butyl-3-[(4-chlorophenyl)methyl]-5,6-dihydrocyclopenta[d]imidazol-4-one has a molecular weight of 302.80 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-[(4-chlorophenyl)methyl]-5,6-dihydrocyclopenta[d]imidazol-4-one is sourced from PubChem (CID 58460143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).