2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol

C22H27N3O2 — CID 99950414

IUPAC2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESCn1c([C@H]2CCCN(Cc3ccc(OCCO)cc3)C2)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-24-21-7-3-2-6-20(21)23-22(24)18-5-4-12-25(16-18)15-17-8-10-19(11-9-17)27-14-13-26/h2-3,6-11,18,26H,4-5,12-16H2,1H3/t18-/m0/s1
InChIKeyGXQFOZBMBUQKKR-SFHVURJKSA-N
MW365.48 g/mol
LogP3.32
Rot. Bonds6

About 2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol

2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol (PubChem CID 99950414) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
PubChem CID99950414
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESCn1c([C@H]2CCCN(Cc3ccc(OCCO)cc3)C2)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-24-21-7-3-2-6-20(21)23-22(24)18-5-4-12-25(16-18)15-17-8-10-19(11-9-17)27-14-13-26/h2-3,6-11,18,26H,4-5,12-16H2,1H3/t18-/m0/s1
InChIKeyGXQFOZBMBUQKKR-SFHVURJKSA-N
XLogP3.32
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 51137878
2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 56893383
2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 95867281
2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 99928263
4-[[3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75615869
[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91946931
2-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 75615874
2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole
CID 92626653
2-(3,5-dimethylphenoxy)-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91946926
1-methyl-2-[1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
CID 46976754
1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
CID 92626009
1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole
CID 131902621

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol (CID 99950414) is 2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol is Cn1c([C@H]2CCCN(Cc3ccc(OCCO)cc3)C2)nc2ccccc21.
What is the InChIKey of 2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol?
The InChIKey is GXQFOZBMBUQKKR-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-24-21-7-3-2-6-20(21)23-22(24)18-5-4-12-25(16-18)15-17-8-10-19(11-9-17)27-14-13-26/h2-3,6-11,18,26H,4-5,12-16H2,1H3/t18-/m0/s1.
What are the key properties of 2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol?
2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol has a molecular weight of 365.48 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 99950414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).