3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one

C19H27N3O — CID 145484811

IUPAC3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(C3CCN(C4CCCCC4)CC3)c2c1
InChIInChI=1S/C19H27N3O/c1-14-7-8-17-18(13-14)22(19(23)20-17)16-9-11-21(12-10-16)15-5-3-2-4-6-15/h7-8,13,15-16H,2-6,9-12H2,1H3,(H,20,23)
InChIKeyRBMWFDKZMXGJIO-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.61
Rot. Bonds2

About 3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one

3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one (PubChem CID 145484811) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one
PubChem CID145484811
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(C3CCN(C4CCCCC4)CC3)c2c1
InChIInChI=1S/C19H27N3O/c1-14-7-8-17-18(13-14)22(19(23)20-17)16-9-11-21(12-10-16)15-5-3-2-4-6-15/h7-8,13,15-16H,2-6,9-12H2,1H3,(H,20,23)
InChIKeyRBMWFDKZMXGJIO-UHFFFAOYSA-N
XLogP3.61
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-[1-[4-(pyrrolidine-1-carbonyl)cyclohexyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 25029425
5-methyl-3-[1-(oxan-4-yl)pyrrolidin-3-yl]-1H-benzimidazol-2-one;hydrochloride
CID 69173233
5-methyl-3-[1-[(4R)-2-methyloxan-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 172967946
5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 69245981
5-methyl-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 15839538
3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one
CID 117208462
5-methyl-3-(oxan-2-yl)-1H-benzimidazol-2-one
CID 117207979
4-(1-cyclooctylpiperidin-4-yl)-1H-quinoxaline-2,3-dione
CID 25134073
3-(1-cyclohexylpiperidin-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one
CID 145484781
3-[1-(4-ethyloxan-4-yl)piperidin-4-yl]-5-methyl-1H-benzimidazol-2-one;hydrochloride
CID 69122480
3-cyclopentyl-7-methyl-1H-quinazoline-2,4-dione
CID 117261716
5-methyl-3-[2-methyl-1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 25029193

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one?
The IUPAC name of 3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one (CID 145484811) is 3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one is Cc1ccc2[nH]c(=O)n(C3CCN(C4CCCCC4)CC3)c2c1.
What is the InChIKey of 3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one?
The InChIKey is RBMWFDKZMXGJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-14-7-8-17-18(13-14)22(19(23)20-17)16-9-11-21(12-10-16)15-5-3-2-4-6-15/h7-8,13,15-16H,2-6,9-12H2,1H3,(H,20,23).
What are the key properties of 3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one?
3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one has a molecular weight of 313.44 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 145484811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).