1-benzyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-2-one

C32H37N3O — CID 18465448

IUPAC1-benzyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-2-one
SMILESO=c1n(Cc2ccccc2)c2ccccc2n1C1CCN(C2(c3ccccc3)CCCCCC2)CC1
InChIInChI=1S/C32H37N3O/c36-31-34(25-26-13-5-3-6-14-26)29-17-9-10-18-30(29)35(31)28-19-23-33(24-20-28)32(21-11-1-2-12-22-32)27-15-7-4-8-16-27/h3-10,13-18,28H,1-2,11-12,19-25H2
InChIKeyUIGUOTCVXHHLMY-UHFFFAOYSA-N
MW479.67 g/mol
LogP6.74
Rot. Bonds5

About 1-benzyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-2-one

1-benzyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-2-one (PubChem CID 18465448) has the molecular formula C32H37N3O and a molecular weight of 479.67 g/mol. Its IUPAC name is 1-benzyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1-benzyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-2-one
PubChem CID18465448
Molecular FormulaC32H37N3O
Molecular Weight479.67 g/mol
Exact Mass479.29
IUPAC Name1-benzyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-2-one
SMILESO=c1n(Cc2ccccc2)c2ccccc2n1C1CCN(C2(c3ccccc3)CCCCCC2)CC1
InChIInChI=1S/C32H37N3O/c36-31-34(25-26-13-5-3-6-14-26)29-17-9-10-18-30(29)35(31)28-19-23-33(24-20-28)32(21-11-1-2-12-22-32)27-15-7-4-8-16-27/h3-10,13-18,28H,1-2,11-12,19-25H2
InChIKeyUIGUOTCVXHHLMY-UHFFFAOYSA-N
XLogP6.74
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]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

1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-3-(2-piperazin-1-ylethyl)benzimidazol-2-one
CID 18465414
N-[2-[2-oxo-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-1-yl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 18465385
1-[1-(1-phenylcyclooctyl)piperidin-4-yl]benzimidazol-2-amine
CID 21268138
1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-(pyridin-4-ylmethyl)benzimidazol-2-one
CID 15908030
4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride
CID 3030621
(8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 101053650
1-[1-(1-phenylcycloheptyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)benzimidazole
CID 15485902
3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride
CID 138398579
2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazole
CID 10163826
1-[1-[(1-methylcyclooctyl)methyl]piperidin-4-yl]-3-prop-2-ynylbenzimidazol-2-one
CID 15908052
[(2S)-2-(dibenzylamino)propyl] 4-(3-benzyl-2-oxobenzimidazol-1-yl)piperidine-1-carboxylate
CID 25191964
2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazole
CID 10278518

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-2-one?
The IUPAC name of 1-benzyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-2-one (CID 18465448) is 1-benzyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-2-one.
What is the SMILES notation for 1-benzyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-2-one?
The canonical SMILES for 1-benzyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-2-one is O=c1n(Cc2ccccc2)c2ccccc2n1C1CCN(C2(c3ccccc3)CCCCCC2)CC1.
What is the InChIKey of 1-benzyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-2-one?
The InChIKey is UIGUOTCVXHHLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O/c36-31-34(25-26-13-5-3-6-14-26)29-17-9-10-18-30(29)35(31)28-19-23-33(24-20-28)32(21-11-1-2-12-22-32)27-15-7-4-8-16-27/h3-10,13-18,28H,1-2,11-12,19-25H2.
What are the key properties of 1-benzyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-2-one?
1-benzyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-2-one has a molecular weight of 479.67 g/mol, XLogP of 6.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(1-phenylcycloheptyl)piperidin-4-yl]benzimidazol-2-one is sourced from PubChem (CID 18465448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).