(1-cyclopentyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone

C24H26N2O4 — CID 71717413

IUPAC(1-cyclopentyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccccc3)cn2C2CCCC2)cc(OC)c1OC
InChIInChI=1S/C24H26N2O4/c1-28-20-13-17(14-21(29-2)23(20)30-3)22(27)24-25-19(16-9-5-4-6-10-16)15-26(24)18-11-7-8-12-18/h4-6,9-10,13-15,18H,7-8,11-12H2,1-3H3
InChIKeyBNOVLUOTUIGVOZ-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.92
Rot. Bonds7

About (1-cyclopentyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone

(1-cyclopentyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 71717413) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is (1-cyclopentyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(1-cyclopentyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID71717413
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name(1-cyclopentyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2nc(-c3ccccc3)cn2C2CCCC2)cc(OC)c1OC
InChIInChI=1S/C24H26N2O4/c1-28-20-13-17(14-21(29-2)23(20)30-3)22(27)24-25-19(16-9-5-4-6-10-16)15-26(24)18-11-7-8-12-18/h4-6,9-10,13-15,18H,7-8,11-12H2,1-3H3
InChIKeyBNOVLUOTUIGVOZ-UHFFFAOYSA-N
XLogP4.92
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopentyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (1-cyclopentyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 71717413) is (1-cyclopentyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (1-cyclopentyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (1-cyclopentyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2nc(-c3ccccc3)cn2C2CCCC2)cc(OC)c1OC.
What is the InChIKey of (1-cyclopentyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is BNOVLUOTUIGVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-28-20-13-17(14-21(29-2)23(20)30-3)22(27)24-25-19(16-9-5-4-6-10-16)15-26(24)18-11-7-8-12-18/h4-6,9-10,13-15,18H,7-8,11-12H2,1-3H3.
What are the key properties of (1-cyclopentyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(1-cyclopentyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 406.48 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyl-4-phenylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 71717413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).