(R)-cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol

C26H32N8O — CID 74767415

IUPAC(R)-cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol
SMILESCc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2[C@H](O)C2CCCCC2)n1
InChIInChI=1S/C26H32N8O/c1-16-27-22(33-14-19(15-33)25-30-20-11-7-8-12-21(20)32(25)3)13-23(28-16)34-26(29-17(2)31-34)24(35)18-9-5-4-6-10-18/h7-8,11-13,18-19,24,35H,4-6,9-10,14-15H2,1-3H3/t24-/m1/s1
InChIKeyMCZMJYZYYIBUJS-XMMPIXPASA-N
MW472.60 g/mol
LogP3.78
Rot. Bonds5

About (R)-cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol

(R)-cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol (PubChem CID 74767415) has the molecular formula C26H32N8O and a molecular weight of 472.60 g/mol. Its IUPAC name is (R)-cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name(R)-cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol
PubChem CID74767415
Molecular FormulaC26H32N8O
Molecular Weight472.60 g/mol
Exact Mass472.27
IUPAC Name(R)-cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol
SMILESCc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2[C@H](O)C2CCCCC2)n1
InChIInChI=1S/C26H32N8O/c1-16-27-22(33-14-19(15-33)25-30-20-11-7-8-12-21(20)32(25)3)13-23(28-16)34-26(29-17(2)31-34)24(35)18-9-5-4-6-10-18/h7-8,11-13,18-19,24,35H,4-6,9-10,14-15H2,1-3H3/t24-/m1/s1
InChIKeyMCZMJYZYYIBUJS-XMMPIXPASA-N
XLogP3.78
TPSA97.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of (R)-cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol (CID 74767415) is (R)-cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for (R)-cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for (R)-cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol is Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2[C@H](O)C2CCCCC2)n1.
What is the InChIKey of (R)-cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is MCZMJYZYYIBUJS-XMMPIXPASA-N. The full InChI is InChI=1S/C26H32N8O/c1-16-27-22(33-14-19(15-33)25-30-20-11-7-8-12-21(20)32(25)3)13-23(28-16)34-26(29-17(2)31-34)24(35)18-9-5-4-6-10-18/h7-8,11-13,18-19,24,35H,4-6,9-10,14-15H2,1-3H3/t24-/m1/s1.
What are the key properties of (R)-cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol?
(R)-cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 472.60 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 74767415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).