[2-cyclopropyl-6-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1H-benzimidazol-2-yl]propan-2-ol

C137H126N24O11 — CID 159386592

IUPAC[2-cyclopropyl-6-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1H-benzimidazol-2-yl]propan-2-ol
SMILESCCc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2nc(C3CC3)[nH]c2c1.CCc1onc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2nc(C(C)(C)O)[nH]c2c1.Cc1noc(C2CC2)c1-c1cc(C(O)(c2ccccc2)c2ccccn2)c2nc(C3CC3)[nH]c2c1.Cc1onc(C2CC2)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C29H26N4O2.C28H25N5O2.2C27H25N5O2.C26H25N5O3/c1-17-25(27(35-33-17)18-10-11-18)20-15-22(26-23(16-20)31-28(32-26)19-12-13-19)29(34,21-7-3-2-4-8-21)24-9-5-6-14-30-24;1-16-24(25(33-35-16)17-8-9-17)19-14-20(26-21(15-19)31-27(32-26)18-10-11-18)28(34,22-6-2-4-12-29-22)23-7-3-5-13-30-23;1-3-21-24(16(2)32-34-21)18-14-19(25-20(15-18)30-26(31-25)17-10-11-17)27(33,22-8-4-6-12-28-22)23-9-5-7-13-29-23;1-3-20-24(16(2)34-32-20)18-14-19(25-21(15-18)30-26(31-25)17-10-11-17)27(33,22-8-4-6-12-28-22)23-9-5-7-13-29-23;1-15-22(16(2)34-31-15)17-13-18(23-19(14-17)29-24(30-23)25(3,4)32)26(33,20-9-5-7-11-27-20)21-10-6-8-12-28-21/h2-9,14-16,18-19,34H,10-13H2,1H3,(H,31,32);2-7,12-15,17-18,34H,8-11H2,1H3,(H,31,32);2*4-9,12-15,17,33H,3,10-11H2,1-2H3,(H,30,31);5-14,32-33H,1-4H3,(H,29,30)
InChIKeyLLOOKXOQHGJOIC-UHFFFAOYSA-N
MW2284.67 g/mol
LogP25.53
Rot. Bonds29

About [2-cyclopropyl-6-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1H-benzimidazol-2-yl]propan-2-ol

[2-cyclopropyl-6-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1H-benzimidazol-2-yl]propan-2-ol (PubChem CID 159386592) has the molecular formula C137H126N24O11 and a molecular weight of 2284.67 g/mol. Its IUPAC name is [2-cyclopropyl-6-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1H-benzimidazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name[2-cyclopropyl-6-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1H-benzimidazol-2-yl]propan-2-ol
PubChem CID159386592
Molecular FormulaC137H126N24O11
Molecular Weight2284.67 g/mol
Exact Mass2283.00
IUPAC Name[2-cyclopropyl-6-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1H-benzimidazol-2-yl]propan-2-ol
SMILESCCc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2nc(C3CC3)[nH]c2c1.CCc1onc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2nc(C(C)(C)O)[nH]c2c1.Cc1noc(C2CC2)c1-c1cc(C(O)(c2ccccc2)c2ccccn2)c2nc(C3CC3)[nH]c2c1.Cc1onc(C2CC2)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C29H26N4O2.C28H25N5O2.2C27H25N5O2.C26H25N5O3/c1-17-25(27(35-33-17)18-10-11-18)20-15-22(26-23(16-20)31-28(32-26)19-12-13-19)29(34,21-7-3-2-4-8-21)24-9-5-6-14-30-24;1-16-24(25(33-35-16)17-8-9-17)19-14-20(26-21(15-19)31-27(32-26)18-10-11-18)28(34,22-6-2-4-12-29-22)23-7-3-5-13-30-23;1-3-21-24(16(2)32-34-21)18-14-19(25-20(15-18)30-26(31-25)17-10-11-17)27(33,22-8-4-6-12-28-22)23-9-5-7-13-29-23;1-3-20-24(16(2)34-32-20)18-14-19(25-21(15-18)30-26(31-25)17-10-11-17)27(33,22-8-4-6-12-28-22)23-9-5-7-13-29-23;1-15-22(16(2)34-31-15)17-13-18(23-19(14-17)29-24(30-23)25(3,4)32)26(33,20-9-5-7-11-27-20)21-10-6-8-12-28-21/h2-9,14-16,18-19,34H,10-13H2,1H3,(H,31,32);2-7,12-15,17-18,34H,8-11H2,1H3,(H,31,32);2*4-9,12-15,17,33H,3,10-11H2,1-2H3,(H,30,31);5-14,32-33H,1-4H3,(H,29,30)
InChIKeyLLOOKXOQHGJOIC-UHFFFAOYSA-N
XLogP25.53
TPSA510.94 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds29
Heavy Atoms172
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002284.67
LogP ≤ 525.53
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Analyze [2-cyclopropyl-6-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1H-benzimidazol-2-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1H-benzimidazol-2-yl]propan-2-ol?
The IUPAC name of [2-cyclopropyl-6-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1H-benzimidazol-2-yl]propan-2-ol (CID 159386592) is [2-cyclopropyl-6-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1H-benzimidazol-2-yl]propan-2-ol.
What is the SMILES notation for [2-cyclopropyl-6-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1H-benzimidazol-2-yl]propan-2-ol?
The canonical SMILES for [2-cyclopropyl-6-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1H-benzimidazol-2-yl]propan-2-ol is CCc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2nc(C3CC3)[nH]c2c1.CCc1onc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2nc(C3CC3)[nH]c2c1.Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2nc(C(C)(C)O)[nH]c2c1.Cc1noc(C2CC2)c1-c1cc(C(O)(c2ccccc2)c2ccccn2)c2nc(C3CC3)[nH]c2c1.Cc1onc(C2CC2)c1-c1cc(C(O)(c2ccccn2)c2ccccn2)c2nc(C3CC3)[nH]c2c1.
What is the InChIKey of [2-cyclopropyl-6-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1H-benzimidazol-2-yl]propan-2-ol?
The InChIKey is LLOOKXOQHGJOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2.C28H25N5O2.2C27H25N5O2.C26H25N5O3/c1-17-25(27(35-33-17)18-10-11-18)20-15-22(26-23(16-20)31-28(32-26)19-12-13-19)29(34,21-7-3-2-4-8-21)24-9-5-6-14-30-24;1-16-24(25(33-35-16)17-8-9-17)19-14-20(26-21(15-19)31-27(32-26)18-10-11-18)28(34,22-6-2-4-12-29-22)23-7-3-5-13-30-23;1-3-21-24(16(2)32-34-21)18-14-19(25-20(15-18)30-26(31-25)17-10-11-17)27(33,22-8-4-6-12-28-22)23-9-5-7-13-29-23;1-3-20-24(16(2)34-32-20)18-14-19(25-21(15-18)30-26(31-25)17-10-11-17)27(33,22-8-4-6-12-28-22)23-9-5-7-13-29-23;1-15-22(16(2)34-31-15)17-13-18(23-19(14-17)29-24(30-23)25(3,4)32)26(33,20-9-5-7-11-27-20)21-10-6-8-12-28-21/h2-9,14-16,18-19,34H,10-13H2,1H3,(H,31,32);2-7,12-15,17-18,34H,8-11H2,1H3,(H,31,32);2*4-9,12-15,17,33H,3,10-11H2,1-2H3,(H,30,31);5-14,32-33H,1-4H3,(H,29,30).
What are the key properties of [2-cyclopropyl-6-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1H-benzimidazol-2-yl]propan-2-ol?
[2-cyclopropyl-6-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1H-benzimidazol-2-yl]propan-2-ol has a molecular weight of 2284.67 g/mol, XLogP of 25.53, 29 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(3-cyclopropyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-phenyl-pyridin-2-ylmethanol;[2-cyclopropyl-6-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;[2-cyclopropyl-6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-dipyridin-2-ylmethanol;2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[hydroxy(dipyridin-2-yl)methyl]-1H-benzimidazol-2-yl]propan-2-ol is sourced from PubChem (CID 159386592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).