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

C25H26N4O2 — CID 144744305

IUPAC2-cyclopropyl-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-pyridin-2-ylethanol
SMILESCc1noc(C)c1-c1cc(C(O)(CC2CC2)c2ccccn2)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C25H26N4O2/c1-14-22(15(2)31-29-14)18-11-19(23-20(12-18)27-24(28-23)17-8-9-17)25(30,13-16-6-7-16)21-5-3-4-10-26-21/h3-5,10-12,16-17,30H,6-9,13H2,1-2H3,(H,27,28)
InChIKeyVZRRTXKRXCKKRS-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.14
Rot. Bonds6

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

2-cyclopropyl-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-pyridin-2-ylethanol (PubChem CID 144744305) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-pyridin-2-ylethanol
PubChem CID144744305
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-cyclopropyl-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-pyridin-2-ylethanol
SMILESCc1noc(C)c1-c1cc(C(O)(CC2CC2)c2ccccn2)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C25H26N4O2/c1-14-22(15(2)31-29-14)18-11-19(23-20(12-18)27-24(28-23)17-8-9-17)25(30,13-16-6-7-16)21-5-3-4-10-26-21/h3-5,10-12,16-17,30H,6-9,13H2,1-2H3,(H,27,28)
InChIKeyVZRRTXKRXCKKRS-UHFFFAOYSA-N
XLogP5.14
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-pyridin-2-ylethanol with MolForge

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Launch Full Analysis

Related Compounds

[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol
CID 86281214
(4-aminophenyl)-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-ylmethanol
CID 140922108
4H-azepin-2-yl-[2-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-ylmethanol
CID 144744376
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-3-ylmethanol
CID 86281212
[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]-dipyridin-3-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-3-ylmethanol;[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-fluoro-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol
CID 159810804
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(5H-1,4-diazepin-3-yl)-pyrazin-2-ylmethanol
CID 144744280
1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-2-methyl-5-(methylideneamino)-1-(1,3-oxazol-2-yl)penta-2,4-dien-1-ol
CID 123141783
4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane
CID 144744361
4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]heptan-4-ol;methyl 2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole-4-carboxylate
CID 159215852
4-[7-(2-benzylphenyl)-2-cyclopropyl-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 86282010
3H-azepin-2-yl-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(6-methoxy-3-pyridinyl)methanol
CID 144744249
N-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide
CID 144744368

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-pyridin-2-ylethanol?
The IUPAC name of 2-cyclopropyl-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-pyridin-2-ylethanol (CID 144744305) is 2-cyclopropyl-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-pyridin-2-ylethanol.
What is the SMILES notation for 2-cyclopropyl-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-pyridin-2-ylethanol?
The canonical SMILES for 2-cyclopropyl-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-pyridin-2-ylethanol is Cc1noc(C)c1-c1cc(C(O)(CC2CC2)c2ccccn2)c2nc(C3CC3)[nH]c2c1.
What is the InChIKey of 2-cyclopropyl-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-pyridin-2-ylethanol?
The InChIKey is VZRRTXKRXCKKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-14-22(15(2)31-29-14)18-11-19(23-20(12-18)27-24(28-23)17-8-9-17)25(30,13-16-6-7-16)21-5-3-4-10-26-21/h3-5,10-12,16-17,30H,6-9,13H2,1-2H3,(H,27,28).
What are the key properties of 2-cyclopropyl-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-pyridin-2-ylethanol?
2-cyclopropyl-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-pyridin-2-ylethanol has a molecular weight of 414.51 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-pyridin-2-ylethanol is sourced from PubChem (CID 144744305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).