6-[1-(cyclopropylmethyl)-4-methoxybenzimidazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

C26H26F3N5O2 — CID 155884139

IUPAC6-[1-(cyclopropylmethyl)-4-methoxybenzimidazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc2c1nc(C1=C(C)NC3C(c4ccccc4)C(C(F)(F)F)NN3C1=O)n2CC1CC1
InChIInChI=1S/C26H26F3N5O2/c1-14-19(23-31-21-17(9-6-10-18(21)36-2)33(23)13-15-11-12-15)25(35)34-24(30-14)20(16-7-4-3-5-8-16)22(32-34)26(27,28)29/h3-10,15,20,22,24,30,32H,11-13H2,1-2H3
InChIKeyBFKPLLUFKKUYIO-UHFFFAOYSA-N
MW497.52 g/mol
LogP4.18
Rot. Bonds5

About 6-[1-(cyclopropylmethyl)-4-methoxybenzimidazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[1-(cyclopropylmethyl)-4-methoxybenzimidazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 155884139) has the molecular formula C26H26F3N5O2 and a molecular weight of 497.52 g/mol. Its IUPAC name is 6-[1-(cyclopropylmethyl)-4-methoxybenzimidazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[1-(cyclopropylmethyl)-4-methoxybenzimidazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID155884139
Molecular FormulaC26H26F3N5O2
Molecular Weight497.52 g/mol
Exact Mass497.20
IUPAC Name6-[1-(cyclopropylmethyl)-4-methoxybenzimidazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc2c1nc(C1=C(C)NC3C(c4ccccc4)C(C(F)(F)F)NN3C1=O)n2CC1CC1
InChIInChI=1S/C26H26F3N5O2/c1-14-19(23-31-21-17(9-6-10-18(21)36-2)33(23)13-15-11-12-15)25(35)34-24(30-14)20(16-7-4-3-5-8-16)22(32-34)26(27,28)29/h3-10,15,20,22,24,30,32H,11-13H2,1-2H3
InChIKeyBFKPLLUFKKUYIO-UHFFFAOYSA-N
XLogP4.18
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.52
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[1-(cyclopropylmethyl)-4-methoxybenzimidazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(cyclopropylmethyl)-4-methoxybenzimidazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[1-(cyclopropylmethyl)-4-methoxybenzimidazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 155884139) is 6-[1-(cyclopropylmethyl)-4-methoxybenzimidazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[1-(cyclopropylmethyl)-4-methoxybenzimidazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[1-(cyclopropylmethyl)-4-methoxybenzimidazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1cccc2c1nc(C1=C(C)NC3C(c4ccccc4)C(C(F)(F)F)NN3C1=O)n2CC1CC1.
What is the InChIKey of 6-[1-(cyclopropylmethyl)-4-methoxybenzimidazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BFKPLLUFKKUYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N5O2/c1-14-19(23-31-21-17(9-6-10-18(21)36-2)33(23)13-15-11-12-15)25(35)34-24(30-14)20(16-7-4-3-5-8-16)22(32-34)26(27,28)29/h3-10,15,20,22,24,30,32H,11-13H2,1-2H3.
What are the key properties of 6-[1-(cyclopropylmethyl)-4-methoxybenzimidazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[1-(cyclopropylmethyl)-4-methoxybenzimidazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 497.52 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(cyclopropylmethyl)-4-methoxybenzimidazol-2-yl]-5-methyl-3-phenyl-2-(trifluoromethyl)-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 155884139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).