1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one

C24H38N4O — CID 21186512

IUPAC1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one
SMILESCNCCn1c(=O)n(C2CCN(CC3CCCCCCC3)CC2)c2ccccc21
InChIInChI=1S/C24H38N4O/c1-25-15-18-27-22-11-7-8-12-23(22)28(24(27)29)21-13-16-26(17-14-21)19-20-9-5-3-2-4-6-10-20/h7-8,11-12,20-21,25H,2-6,9-10,13-19H2,1H3
InChIKeyHBERIDWULUQDQC-UHFFFAOYSA-N
MW398.60 g/mol
LogP4.02
Rot. Bonds6

About 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one

1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one (PubChem CID 21186512) has the molecular formula C24H38N4O and a molecular weight of 398.60 g/mol. Its IUPAC name is 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one
PubChem CID21186512
Molecular FormulaC24H38N4O
Molecular Weight398.60 g/mol
Exact Mass398.30
IUPAC Name1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one
SMILESCNCCn1c(=O)n(C2CCN(CC3CCCCCCC3)CC2)c2ccccc21
InChIInChI=1S/C24H38N4O/c1-25-15-18-27-22-11-7-8-12-23(22)28(24(27)29)21-13-16-26(17-14-21)19-20-9-5-3-2-4-6-10-20/h7-8,11-12,20-21,25H,2-6,9-10,13-19H2,1H3
InChIKeyHBERIDWULUQDQC-UHFFFAOYSA-N
XLogP4.02
TPSA42.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-hydroxybenzimidazol-2-one
CID 21186441
1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-(pyridin-4-ylmethyl)benzimidazol-2-one
CID 15908030
1-[2-(methylamino)ethyl]-3-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]benzimidazol-2-one
CID 59322987
1-[(3S,4S)-1-(cyclooctylmethyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one
CID 139908801
1-[3-(bromomethyl)-1-(cyclooctylmethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one
CID 21186555
1-[1-(cyclooctylmethyl)-3-ethenylpiperidin-4-yl]-3-ethylbenzimidazol-2-one
CID 21186450
1-[(3R,4R)-1-(cycloheptylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one
CID 45269626
1-[1-(cyclooctylmethyl)-3-[(dimethylamino)methyl]piperidin-4-yl]-3-ethylbenzimidazol-2-one
CID 21186476
(3S,4S)-4-[3-(2-aminoethyl)-2-oxobenzimidazol-1-yl]-1-(cyclooctylmethyl)-N-piperidin-4-ylpiperidine-3-carboxamide
CID 139908815
1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one
CID 115761324
1-[1-[(1-methylcyclooctyl)methyl]piperidin-4-yl]-3-prop-2-ynylbenzimidazol-2-one
CID 15908052
1-[1-(4-chlorobutyl)piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one
CID 174229465

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one?
The IUPAC name of 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one (CID 21186512) is 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one.
What is the SMILES notation for 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one?
The canonical SMILES for 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one is CNCCn1c(=O)n(C2CCN(CC3CCCCCCC3)CC2)c2ccccc21.
What is the InChIKey of 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one?
The InChIKey is HBERIDWULUQDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O/c1-25-15-18-27-22-11-7-8-12-23(22)28(24(27)29)21-13-16-26(17-14-21)19-20-9-5-3-2-4-6-10-20/h7-8,11-12,20-21,25H,2-6,9-10,13-19H2,1H3.
What are the key properties of 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one?
1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one has a molecular weight of 398.60 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclooctylmethyl)piperidin-4-yl]-3-[2-(methylamino)ethyl]benzimidazol-2-one is sourced from PubChem (CID 21186512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).