3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one

C25H29N3O3 — CID 119074354

IUPAC3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
SMILESO=C(c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H29N3O3/c29-21-9-7-20(8-10-21)28-23-11-6-19(16-22(23)26-25(28)31)24(30)27-14-12-18(13-15-27)17-4-2-1-3-5-17/h1-6,11,16,18,20-21,29H,7-10,12-15H2,(H,26,31)
InChIKeyCXPWMYJRYRYSMK-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.83
Rot. Bonds3

About 3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one

3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one (PubChem CID 119074354) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
PubChem CID119074354
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
SMILESO=C(c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H29N3O3/c29-21-9-7-20(8-10-21)28-23-11-6-19(16-22(23)26-25(28)31)24(30)27-14-12-18(13-15-27)17-4-2-1-3-5-17/h1-6,11,16,18,20-21,29H,7-10,12-15H2,(H,26,31)
InChIKeyCXPWMYJRYRYSMK-UHFFFAOYSA-N
XLogP3.83
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopropyl-2-oxo-3H-benzimidazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 136552219
6-[(3S)-3-benzyl-5-oxopiperazine-1-carbonyl]-3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 137337152
3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one
CID 119638825
6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
CID 120747294
3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 166244271
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride
CID 119520393
6-chloro-3-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 53470056
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
CID 119486752
3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
CID 138993159

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one (CID 119074354) is 3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one is O=C(c1ccc2c(c1)[nH]c(=O)n2C1CCC(O)CC1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one?
The InChIKey is CXPWMYJRYRYSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-21-9-7-20(8-10-21)28-23-11-6-19(16-22(23)26-25(28)31)24(30)27-14-12-18(13-15-27)17-4-2-1-3-5-17/h1-6,11,16,18,20-21,29H,7-10,12-15H2,(H,26,31).
What are the key properties of 3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one?
3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one has a molecular weight of 419.53 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxycyclohexyl)-6-(4-phenylpiperidine-1-carbonyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 119074354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).