3-[1-[4-(pyrimidin-5-ylamino)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one

C22H28N6O — CID 21471560

IUPAC3-[1-[4-(pyrimidin-5-ylamino)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C2CCC(Nc3cncnc3)CC2)CC1
InChIInChI=1S/C22H28N6O/c29-22-26-20-3-1-2-4-21(20)28(22)19-9-11-27(12-10-19)18-7-5-16(6-8-18)25-17-13-23-15-24-14-17/h1-4,13-16,18-19,25H,5-12H2,(H,26,29)
InChIKeyCLFLUUQJALEIJM-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.18
Rot. Bonds4

About 3-[1-[4-(pyrimidin-5-ylamino)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[4-(pyrimidin-5-ylamino)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 21471560) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 3-[1-[4-(pyrimidin-5-ylamino)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[4-(pyrimidin-5-ylamino)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID21471560
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name3-[1-[4-(pyrimidin-5-ylamino)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C2CCC(Nc3cncnc3)CC2)CC1
InChIInChI=1S/C22H28N6O/c29-22-26-20-3-1-2-4-21(20)28(22)19-9-11-27(12-10-19)18-7-5-16(6-8-18)25-17-13-23-15-24-14-17/h1-4,13-16,18-19,25H,5-12H2,(H,26,29)
InChIKeyCLFLUUQJALEIJM-UHFFFAOYSA-N
XLogP3.18
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[1-[4-(pyrimidin-5-ylamino)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde
CID 21471554
3-(4-aminocyclohexyl)-1H-benzimidazol-2-one
CID 23092402
3-[1-(1,2-dihydropyridin-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 173295713
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038
3-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 21471689
3-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 142654855
3-[1-[4-(4-fluorophenyl)-4-hydroxycyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 12834387
3-[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 10476701
3-[1-[1-[(2-methylsulfanylphenyl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 11743757
4-(1-cyclooctylpiperidin-4-yl)-1H-quinoxaline-2,3-dione
CID 25134073
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(pyrimidin-5-ylamino)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[4-(pyrimidin-5-ylamino)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 21471560) is 3-[1-[4-(pyrimidin-5-ylamino)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[4-(pyrimidin-5-ylamino)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[4-(pyrimidin-5-ylamino)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(C2CCC(Nc3cncnc3)CC2)CC1.
What is the InChIKey of 3-[1-[4-(pyrimidin-5-ylamino)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is CLFLUUQJALEIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c29-22-26-20-3-1-2-4-21(20)28(22)19-9-11-27(12-10-19)18-7-5-16(6-8-18)25-17-13-23-15-24-14-17/h1-4,13-16,18-19,25H,5-12H2,(H,26,29).
What are the key properties of 3-[1-[4-(pyrimidin-5-ylamino)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[4-(pyrimidin-5-ylamino)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 392.51 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(pyrimidin-5-ylamino)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 21471560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).