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

C28H25N3O2 — CID 86281080

IUPAC[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-diphenylmethanol
SMILESCc1noc(C)c1-c1cc(C(O)(c2ccccc2)c2ccccc2)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C28H25N3O2/c1-17-25(18(2)33-31-17)20-15-23(26-24(16-20)29-27(30-26)19-13-14-19)28(32,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,15-16,19,32H,13-14H2,1-2H3,(H,29,30)
InChIKeyVCOPOFJUYXUWQK-UHFFFAOYSA-N
MW435.53 g/mol
LogP6.00
Rot. Bonds5

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

[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-diphenylmethanol (PubChem CID 86281080) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-diphenylmethanol
PubChem CID86281080
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC Name[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-diphenylmethanol
SMILESCc1noc(C)c1-c1cc(C(O)(c2ccccc2)c2ccccc2)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C28H25N3O2/c1-17-25(18(2)33-31-17)20-15-23(26-24(16-20)29-27(30-26)19-13-14-19)28(32,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,15-16,19,32H,13-14H2,1-2H3,(H,29,30)
InChIKeyVCOPOFJUYXUWQK-UHFFFAOYSA-N
XLogP6.00
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-diphenylmethanol?
The IUPAC name of [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-diphenylmethanol (CID 86281080) is [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-diphenylmethanol.
What is the SMILES notation for [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-diphenylmethanol?
The canonical SMILES for [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-diphenylmethanol is Cc1noc(C)c1-c1cc(C(O)(c2ccccc2)c2ccccc2)c2nc(C3CC3)[nH]c2c1.
What is the InChIKey of [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-diphenylmethanol?
The InChIKey is VCOPOFJUYXUWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c1-17-25(18(2)33-31-17)20-15-23(26-24(16-20)29-27(30-26)19-13-14-19)28(32,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,15-16,19,32H,13-14H2,1-2H3,(H,29,30).
What are the key properties of [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-diphenylmethanol?
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-diphenylmethanol has a molecular weight of 435.53 g/mol, XLogP of 6.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-diphenylmethanol is sourced from PubChem (CID 86281080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).