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

C25H23N7O2 — CID 144744280

IUPAC[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(5H-1,4-diazepin-3-yl)-pyrazin-2-ylmethanol
SMILESCc1noc(C)c1-c1cc(C(O)(C2=NCC=CN=C2)c2cnccn2)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C25H23N7O2/c1-14-22(15(2)34-32-14)17-10-18(23-19(11-17)30-24(31-23)16-4-5-16)25(33,21-13-27-8-9-29-21)20-12-26-6-3-7-28-20/h3,6,8-13,16,33H,4-5,7H2,1-2H3,(H,30,31)
InChIKeyKEXWLNRAZTUFOJ-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.78
Rot. Bonds5

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

[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(5H-1,4-diazepin-3-yl)-pyrazin-2-ylmethanol (PubChem CID 144744280) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(5H-1,4-diazepin-3-yl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(5H-1,4-diazepin-3-yl)-pyrazin-2-ylmethanol
PubChem CID144744280
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Name[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(5H-1,4-diazepin-3-yl)-pyrazin-2-ylmethanol
SMILESCc1noc(C)c1-c1cc(C(O)(C2=NCC=CN=C2)c2cnccn2)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C25H23N7O2/c1-14-22(15(2)34-32-14)17-10-18(23-19(11-17)30-24(31-23)16-4-5-16)25(33,21-13-27-8-9-29-21)20-12-26-6-3-7-28-20/h3,6,8-13,16,33H,4-5,7H2,1-2H3,(H,30,31)
InChIKeyKEXWLNRAZTUFOJ-UHFFFAOYSA-N
XLogP3.78
TPSA125.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

[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]-phenyl-pyridin-2-ylmethanol
CID 86281214
2-cyclopropyl-1-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-1-pyridin-2-ylethanol
CID 144744305
(4-aminophenyl)-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-ylmethanol
CID 140922108
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
[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
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
4H-azepin-2-yl-[2-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-ylmethanol
CID 144744376
N-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-N-ethanimidoylethanimidamide
CID 144744368
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-[(2,6-difluorophenyl)-hydroxy-pyrazin-2-ylmethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 86296774
4-[2-cyclopropyl-7-(1-phenylethenyl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;ethane
CID 144744361

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(5H-1,4-diazepin-3-yl)-pyrazin-2-ylmethanol?
The IUPAC name of [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) is [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(5H-1,4-diazepin-3-yl)-pyrazin-2-ylmethanol.
What is the SMILES notation for [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(5H-1,4-diazepin-3-yl)-pyrazin-2-ylmethanol?
The canonical SMILES for [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(5H-1,4-diazepin-3-yl)-pyrazin-2-ylmethanol is Cc1noc(C)c1-c1cc(C(O)(C2=NCC=CN=C2)c2cnccn2)c2nc(C3CC3)[nH]c2c1.
What is the InChIKey of [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(5H-1,4-diazepin-3-yl)-pyrazin-2-ylmethanol?
The InChIKey is KEXWLNRAZTUFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-14-22(15(2)34-32-14)17-10-18(23-19(11-17)30-24(31-23)16-4-5-16)25(33,21-13-27-8-9-29-21)20-12-26-6-3-7-28-20/h3,6,8-13,16,33H,4-5,7H2,1-2H3,(H,30,31).
What are the key properties of [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(5H-1,4-diazepin-3-yl)-pyrazin-2-ylmethanol?
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-(5H-1,4-diazepin-3-yl)-pyrazin-2-ylmethanol has a molecular weight of 453.51 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 8 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]-(5H-1,4-diazepin-3-yl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 144744280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).