6-(fluoromethyl)-3-[1-[4-fluoro-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

C25H29F2N5O2 — CID 67579462

IUPAC6-(fluoromethyl)-3-[1-[4-fluoro-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(N1CCC(n2c(=O)[nH]c3cc(CF)ccc32)CC1)C1(F)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C25H29F2N5O2/c26-16-19-1-2-22-21(15-19)29-24(34)32(22)20-5-11-31(12-6-20)23(33)25(27)7-13-30(14-8-25)17-18-3-9-28-10-4-18/h1-4,9-10,15,20H,5-8,11-14,16-17H2,(H,29,34)
InChIKeyHWAPMNLSNYGBSE-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.36
Rot. Bonds5

About 6-(fluoromethyl)-3-[1-[4-fluoro-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

6-(fluoromethyl)-3-[1-[4-fluoro-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 67579462) has the molecular formula C25H29F2N5O2 and a molecular weight of 469.54 g/mol. Its IUPAC name is 6-(fluoromethyl)-3-[1-[4-fluoro-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-(fluoromethyl)-3-[1-[4-fluoro-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID67579462
Molecular FormulaC25H29F2N5O2
Molecular Weight469.54 g/mol
Exact Mass469.23
IUPAC Name6-(fluoromethyl)-3-[1-[4-fluoro-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(N1CCC(n2c(=O)[nH]c3cc(CF)ccc32)CC1)C1(F)CCN(Cc2ccncc2)CC1
InChIInChI=1S/C25H29F2N5O2/c26-16-19-1-2-22-21(15-19)29-24(34)32(22)20-5-11-31(12-6-20)23(33)25(27)7-13-30(14-8-25)17-18-3-9-28-10-4-18/h1-4,9-10,15,20H,5-8,11-14,16-17H2,(H,29,34)
InChIKeyHWAPMNLSNYGBSE-UHFFFAOYSA-N
XLogP3.36
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(fluoromethyl)-3-[1-[4-fluoro-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]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

3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 58863156
3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one
CID 84672284
CID 159245727
CID 159245727
6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 19863642
3-[1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 126769361
3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one
CID 67559926
6-chloro-3-[1-(2-phenylacetyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968181
[4-(5-fluoro-2-propan-2-yloxybenzimidazol-1-yl)piperidin-1-yl]-[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone
CID 21050338
3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968040
[1-[(2-amino-4-pyridinyl)methyl]-4-fluoropiperidin-4-yl]-piperazin-1-ylmethanone
CID 143930920
4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid
CID 117404661
3-(1-benzylpiperidin-4-yl)-5-fluoro-1H-benzimidazol-2-one
CID 139785932

Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-3-[1-[4-fluoro-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 6-(fluoromethyl)-3-[1-[4-fluoro-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 67579462) is 6-(fluoromethyl)-3-[1-[4-fluoro-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-(fluoromethyl)-3-[1-[4-fluoro-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-(fluoromethyl)-3-[1-[4-fluoro-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=C(N1CCC(n2c(=O)[nH]c3cc(CF)ccc32)CC1)C1(F)CCN(Cc2ccncc2)CC1.
What is the InChIKey of 6-(fluoromethyl)-3-[1-[4-fluoro-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is HWAPMNLSNYGBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N5O2/c26-16-19-1-2-22-21(15-19)29-24(34)32(22)20-5-11-31(12-6-20)23(33)25(27)7-13-30(14-8-25)17-18-3-9-28-10-4-18/h1-4,9-10,15,20H,5-8,11-14,16-17H2,(H,29,34).
What are the key properties of 6-(fluoromethyl)-3-[1-[4-fluoro-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
6-(fluoromethyl)-3-[1-[4-fluoro-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 469.54 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-3-[1-[4-fluoro-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 67579462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).