6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-3-methyl-1H-benzimidazol-2-one

C23H27ClFN3O2 — CID 25161229

IUPAC6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-3-methyl-1H-benzimidazol-2-one
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2[nH]c(=O)n(C)c12
InChIInChI=1S/C23H27ClFN3O2/c1-15(19-12-17(24)13-20-21(19)28(3)22(29)26-20)30-14-23(8-10-27(2)11-9-23)16-4-6-18(25)7-5-16/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,26,29)
InChIKeyAAZWJCTVCDUHQU-UHFFFAOYSA-N
MW431.94 g/mol
LogP4.40
Rot. Bonds5

About 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-3-methyl-1H-benzimidazol-2-one

6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-3-methyl-1H-benzimidazol-2-one (PubChem CID 25161229) has the molecular formula C23H27ClFN3O2 and a molecular weight of 431.94 g/mol. Its IUPAC name is 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-3-methyl-1H-benzimidazol-2-one
PubChem CID25161229
Molecular FormulaC23H27ClFN3O2
Molecular Weight431.94 g/mol
Exact Mass431.18
IUPAC Name6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-3-methyl-1H-benzimidazol-2-one
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2[nH]c(=O)n(C)c12
InChIInChI=1S/C23H27ClFN3O2/c1-15(19-12-17(24)13-20-21(19)28(3)22(29)26-20)30-14-23(8-10-27(2)11-9-23)16-4-6-18(25)7-5-16/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,26,29)
InChIKeyAAZWJCTVCDUHQU-UHFFFAOYSA-N
XLogP4.40
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.94
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloro-3,4-dihydro-2H-quinoxalin-1-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 162665294
(3R)-N-[4-chloro-2-(methoxymethyl)phenyl]-3-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 164635472
6-chloro-3-[1-[[5-(4-fluorophenyl)oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 13151513
6-chloro-3-[1-[[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 13151514
1-[1-(cis-2-(4-Fluorophenyl)-tetrahydro-4-furylmethyl)-4-piperidyl]-5-chloro-benzimidazolin-2-one
CID 13151515
6-chloro-3-[1-[[5-(4-fluorophenyl)oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazole-2-thione
CID 13151519
6-chloro-3-[1-[[5-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 13151521
5-Chloro-6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
CID 21465202
6-chloro-3-[1-[[(3R,5S)-5-(4-fluorophenyl)oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 22824602
6-chloro-3-[1-[[(3S,5S)-5-(4-fluorophenyl)oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 22824603
6-Chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dihydrobenzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 25161225
6-Chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 25161226

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-3-methyl-1H-benzimidazol-2-one (CID 25161229) is 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-3-methyl-1H-benzimidazol-2-one is CC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2[nH]c(=O)n(C)c12.
What is the InChIKey of 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-3-methyl-1H-benzimidazol-2-one?
The InChIKey is AAZWJCTVCDUHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O2/c1-15(19-12-17(24)13-20-21(19)28(3)22(29)26-20)30-14-23(8-10-27(2)11-9-23)16-4-6-18(25)7-5-16/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,26,29).
What are the key properties of 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-3-methyl-1H-benzimidazol-2-one?
6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-3-methyl-1H-benzimidazol-2-one has a molecular weight of 431.94 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 25161229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).