(5-chloro-3-ethyl-2-naphthalen-1-ylimidazol-4-yl)-(4-cyclobutylpiperazin-1-yl)methanone

C24H27ClN4O — CID 59337961

IUPAC(5-chloro-3-ethyl-2-naphthalen-1-ylimidazol-4-yl)-(4-cyclobutylpiperazin-1-yl)methanone
SMILESCCn1c(-c2cccc3ccccc23)nc(Cl)c1C(=O)N1CCN(C2CCC2)CC1
InChIInChI=1S/C24H27ClN4O/c1-2-29-21(24(30)28-15-13-27(14-16-28)18-9-6-10-18)22(25)26-23(29)20-12-5-8-17-7-3-4-11-19(17)20/h3-5,7-8,11-12,18H,2,6,9-10,13-16H2,1H3
InChIKeyBYFJVIGIQAXZQH-UHFFFAOYSA-N
MW422.96 g/mol
LogP4.69
Rot. Bonds4

About (5-chloro-3-ethyl-2-naphthalen-1-ylimidazol-4-yl)-(4-cyclobutylpiperazin-1-yl)methanone

(5-chloro-3-ethyl-2-naphthalen-1-ylimidazol-4-yl)-(4-cyclobutylpiperazin-1-yl)methanone (PubChem CID 59337961) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is (5-chloro-3-ethyl-2-naphthalen-1-ylimidazol-4-yl)-(4-cyclobutylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-3-ethyl-2-naphthalen-1-ylimidazol-4-yl)-(4-cyclobutylpiperazin-1-yl)methanone
PubChem CID59337961
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC Name(5-chloro-3-ethyl-2-naphthalen-1-ylimidazol-4-yl)-(4-cyclobutylpiperazin-1-yl)methanone
SMILESCCn1c(-c2cccc3ccccc23)nc(Cl)c1C(=O)N1CCN(C2CCC2)CC1
InChIInChI=1S/C24H27ClN4O/c1-2-29-21(24(30)28-15-13-27(14-16-28)18-9-6-10-18)22(25)26-23(29)20-12-5-8-17-7-3-4-11-19(17)20/h3-5,7-8,11-12,18H,2,6,9-10,13-16H2,1H3
InChIKeyBYFJVIGIQAXZQH-UHFFFAOYSA-N
XLogP4.69
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-ethyl-2-naphthalen-1-ylimidazol-4-yl)-(4-cyclobutylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-3-ethyl-2-naphthalen-1-ylimidazol-4-yl)-(4-cyclobutylpiperazin-1-yl)methanone (CID 59337961) is (5-chloro-3-ethyl-2-naphthalen-1-ylimidazol-4-yl)-(4-cyclobutylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-3-ethyl-2-naphthalen-1-ylimidazol-4-yl)-(4-cyclobutylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-3-ethyl-2-naphthalen-1-ylimidazol-4-yl)-(4-cyclobutylpiperazin-1-yl)methanone is CCn1c(-c2cccc3ccccc23)nc(Cl)c1C(=O)N1CCN(C2CCC2)CC1.
What is the InChIKey of (5-chloro-3-ethyl-2-naphthalen-1-ylimidazol-4-yl)-(4-cyclobutylpiperazin-1-yl)methanone?
The InChIKey is BYFJVIGIQAXZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-2-29-21(24(30)28-15-13-27(14-16-28)18-9-6-10-18)22(25)26-23(29)20-12-5-8-17-7-3-4-11-19(17)20/h3-5,7-8,11-12,18H,2,6,9-10,13-16H2,1H3.
What are the key properties of (5-chloro-3-ethyl-2-naphthalen-1-ylimidazol-4-yl)-(4-cyclobutylpiperazin-1-yl)methanone?
(5-chloro-3-ethyl-2-naphthalen-1-ylimidazol-4-yl)-(4-cyclobutylpiperazin-1-yl)methanone has a molecular weight of 422.96 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-ethyl-2-naphthalen-1-ylimidazol-4-yl)-(4-cyclobutylpiperazin-1-yl)methanone is sourced from PubChem (CID 59337961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).