4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-propan-2-yl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one

C26H32N4O2 — CID 19989890

IUPAC4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-propan-2-yl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one
SMILESCC(C)N1CC(CCN2CCC(O)(c3ccccc3)CC2)c2nc3ccccc3n2C1=O
InChIInChI=1S/C26H32N4O2/c1-19(2)29-18-20(24-27-22-10-6-7-11-23(22)30(24)25(29)31)12-15-28-16-13-26(32,14-17-28)21-8-4-3-5-9-21/h3-11,19-20,32H,12-18H2,1-2H3
InChIKeyVMIDVSGXJGPIQA-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.19
Rot. Bonds5

About 4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-propan-2-yl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one

4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-propan-2-yl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one (PubChem CID 19989890) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-propan-2-yl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one.

Molecular Properties

Compound Name4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-propan-2-yl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one
PubChem CID19989890
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-propan-2-yl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one
SMILESCC(C)N1CC(CCN2CCC(O)(c3ccccc3)CC2)c2nc3ccccc3n2C1=O
InChIInChI=1S/C26H32N4O2/c1-19(2)29-18-20(24-27-22-10-6-7-11-23(22)30(24)25(29)31)12-15-28-16-13-26(32,14-17-28)21-8-4-3-5-9-21/h3-11,19-20,32H,12-18H2,1-2H3
InChIKeyVMIDVSGXJGPIQA-UHFFFAOYSA-N
XLogP4.19
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 154095218
1-(2-aminoethyl)-4-phenylpiperidin-4-ol
CID 15289503
3-propan-2-yl-1,2-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-one
CID 135797532
1-methylsulfonyl-4-phenylpiperidin-4-ol
CID 90920425
methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate
CID 122138914
1-(cyclopropylmethyl)-4-phenylpiperidin-4-ol
CID 3064338
1-[(3S)-3-hydroxy-3-phenoxypropyl]-4-quinolin-3-ylpiperidin-4-ol
CID 70242446
N-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 13345423
1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 24815354
4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid
CID 119958693
4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-phenylpyrrolidin-2-one
CID 118779442
2-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]isoindole-1,3-dione
CID 3310729

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-propan-2-yl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one?
The IUPAC name of 4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-propan-2-yl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one (CID 19989890) is 4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-propan-2-yl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one.
What is the SMILES notation for 4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-propan-2-yl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one?
The canonical SMILES for 4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-propan-2-yl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one is CC(C)N1CC(CCN2CCC(O)(c3ccccc3)CC2)c2nc3ccccc3n2C1=O.
What is the InChIKey of 4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-propan-2-yl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one?
The InChIKey is VMIDVSGXJGPIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-19(2)29-18-20(24-27-22-10-6-7-11-23(22)30(24)25(29)31)12-15-28-16-13-26(32,14-17-28)21-8-4-3-5-9-21/h3-11,19-20,32H,12-18H2,1-2H3.
What are the key properties of 4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-propan-2-yl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one?
4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-propan-2-yl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one has a molecular weight of 432.57 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]-2-propan-2-yl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one is sourced from PubChem (CID 19989890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).