1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole

C22H27N3O — CID 40634309

IUPAC1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
SMILESC[C@@H](c1nc2ccccc2n1CCOc1ccccc1)N1CCCCC1
InChIInChI=1S/C22H27N3O/c1-18(24-14-8-3-9-15-24)22-23-20-12-6-7-13-21(20)25(22)16-17-26-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3/t18-/m0/s1
InChIKeyWROIWPZRFNQFBL-SFHVURJKSA-N
MW349.48 g/mol
LogP4.66
Rot. Bonds6

About 1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole

1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole (PubChem CID 40634309) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
PubChem CID40634309
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
SMILESC[C@@H](c1nc2ccccc2n1CCOc1ccccc1)N1CCCCC1
InChIInChI=1S/C22H27N3O/c1-18(24-14-8-3-9-15-24)22-23-20-12-6-7-13-21(20)25(22)16-17-26-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3/t18-/m0/s1
InChIKeyWROIWPZRFNQFBL-SFHVURJKSA-N
XLogP4.66
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
CID 96571175
1-[4-(4-methoxyphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885098
2-[(1S)-1-(azepan-1-yl)ethyl]-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 96571436
2-[1-(azepan-1-yl)ethyl]-1-[3-(4-ethylphenoxy)propyl]benzimidazole
CID 18885329
1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885099
2-[1-(azepan-1-yl)ethyl]-1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazole
CID 18885294
2-[1-(azepan-1-yl)ethyl]-1-butylbenzimidazole
CID 18885259
2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole
CID 7574593
N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-(pyridin-2-ylmethyl)propan-2-amine;1-(2-phenoxyethyl)-2-(1-piperidin-1-ylethyl)benzimidazole
CID 142506583
1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole
CID 92735667
2-[1-(azepan-1-yl)ethyl]-1-hexylbenzimidazole
CID 18885264
3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
CID 82311578

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole?
The IUPAC name of 1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole (CID 40634309) is 1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole.
What is the SMILES notation for 1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole?
The canonical SMILES for 1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole is C[C@@H](c1nc2ccccc2n1CCOc1ccccc1)N1CCCCC1.
What is the InChIKey of 1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole?
The InChIKey is WROIWPZRFNQFBL-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27N3O/c1-18(24-14-8-3-9-15-24)22-23-20-12-6-7-13-21(20)25(22)16-17-26-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3/t18-/m0/s1.
What are the key properties of 1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole?
1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole has a molecular weight of 349.48 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole is sourced from PubChem (CID 40634309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).