cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]methanol

C21H25N3O2 — CID 86280938

IUPACcyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]methanol
SMILESCc1noc(C)c1-c1cc(C(O)C2CCCC2)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C21H25N3O2/c1-11-18(12(2)26-24-11)15-9-16(20(25)13-5-3-4-6-13)19-17(10-15)22-21(23-19)14-7-8-14/h9-10,13-14,20,25H,3-8H2,1-2H3,(H,22,23)
InChIKeyQMXGHJWYWHBEKK-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.94
Rot. Bonds4

About cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]methanol

cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]methanol (PubChem CID 86280938) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]methanol.

Molecular Properties

Compound Namecyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]methanol
PubChem CID86280938
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Namecyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]methanol
SMILESCc1noc(C)c1-c1cc(C(O)C2CCCC2)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C21H25N3O2/c1-11-18(12(2)26-24-11)15-9-16(20(25)13-5-3-4-6-13)19-17(10-15)22-21(23-19)14-7-8-14/h9-10,13-14,20,25H,3-8H2,1-2H3,(H,22,23)
InChIKeyQMXGHJWYWHBEKK-UHFFFAOYSA-N
XLogP4.94
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]methanol?
The IUPAC name of cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]methanol (CID 86280938) is cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]methanol.
What is the SMILES notation for cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]methanol?
The canonical SMILES for cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]methanol is Cc1noc(C)c1-c1cc(C(O)C2CCCC2)c2nc(C3CC3)[nH]c2c1.
What is the InChIKey of cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]methanol?
The InChIKey is QMXGHJWYWHBEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-11-18(12(2)26-24-11)15-9-16(20(25)13-5-3-4-6-13)19-17(10-15)22-21(23-19)14-7-8-14/h9-10,13-14,20,25H,3-8H2,1-2H3,(H,22,23).
What are the key properties of cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]methanol?
cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]methanol has a molecular weight of 351.45 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]methanol is sourced from PubChem (CID 86280938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).