6-propan-2-yl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one

C25H32N6O2 — CID 21471674

IUPAC6-propan-2-yl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(C)c1ccc2c(c1)[nH]c(=O)n2C1CCN(C2CCN(C(=O)c3cncnc3)CC2)CC1
InChIInChI=1S/C25H32N6O2/c1-17(2)18-3-4-23-22(13-18)28-25(33)31(23)21-7-9-29(10-8-21)20-5-11-30(12-6-20)24(32)19-14-26-16-27-15-19/h3-4,13-17,20-21H,5-12H2,1-2H3,(H,28,33)
InChIKeyHAZXIEKRRJMSIN-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.18
Rot. Bonds4

About 6-propan-2-yl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one

6-propan-2-yl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 21471674) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 6-propan-2-yl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-propan-2-yl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID21471674
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name6-propan-2-yl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(C)c1ccc2c(c1)[nH]c(=O)n2C1CCN(C2CCN(C(=O)c3cncnc3)CC2)CC1
InChIInChI=1S/C25H32N6O2/c1-17(2)18-3-4-23-22(13-18)28-25(33)31(23)21-7-9-29(10-8-21)20-5-11-30(12-6-20)24(32)19-14-26-16-27-15-19/h3-4,13-17,20-21H,5-12H2,1-2H3,(H,28,33)
InChIKeyHAZXIEKRRJMSIN-UHFFFAOYSA-N
XLogP3.18
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 6-propan-2-yl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 21471674) is 6-propan-2-yl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-propan-2-yl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-propan-2-yl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one is CC(C)c1ccc2c(c1)[nH]c(=O)n2C1CCN(C2CCN(C(=O)c3cncnc3)CC2)CC1.
What is the InChIKey of 6-propan-2-yl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is HAZXIEKRRJMSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-17(2)18-3-4-23-22(13-18)28-25(33)31(23)21-7-9-29(10-8-21)20-5-11-30(12-6-20)24(32)19-14-26-16-27-15-19/h3-4,13-17,20-21H,5-12H2,1-2H3,(H,28,33).
What are the key properties of 6-propan-2-yl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?
6-propan-2-yl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 448.57 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 21471674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).