1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole

C23H29N3O2 — CID 96571175

IUPAC1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
SMILESCOc1cccc(OCCn2c([C@H](C)N3CCCCC3)nc3ccccc32)c1
InChIInChI=1S/C23H29N3O2/c1-18(25-13-6-3-7-14-25)23-24-21-11-4-5-12-22(21)26(23)15-16-28-20-10-8-9-19(17-20)27-2/h4-5,8-12,17-18H,3,6-7,13-16H2,1-2H3/t18-/m0/s1
InChIKeyGSKQIHOQOVWBJR-SFHVURJKSA-N
MW379.50 g/mol
LogP4.67
Rot. Bonds7

About 1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole

1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole (PubChem CID 96571175) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
PubChem CID96571175
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
SMILESCOc1cccc(OCCn2c([C@H](C)N3CCCCC3)nc3ccccc32)c1
InChIInChI=1S/C23H29N3O2/c1-18(25-13-6-3-7-14-25)23-24-21-11-4-5-12-22(21)26(23)15-16-28-20-10-8-9-19(17-20)27-2/h4-5,8-12,17-18H,3,6-7,13-16H2,1-2H3/t18-/m0/s1
InChIKeyGSKQIHOQOVWBJR-SFHVURJKSA-N
XLogP4.67
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
CID 40634309
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
1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethanol
CID 16995356
2-[1-(azepan-1-yl)ethyl]-1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazole
CID 18885294
[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-phenylmethanol
CID 16995132
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
CID 16998977
2-[1-(azepan-1-yl)ethyl]-1-[3-(4-ethylphenoxy)propyl]benzimidazole
CID 18885329
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969373
2-[1-(azepan-1-yl)ethyl]-1-butylbenzimidazole
CID 18885259
1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885099
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968767

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole?
The IUPAC name of 1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole (CID 96571175) is 1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole.
What is the SMILES notation for 1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole?
The canonical SMILES for 1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole is COc1cccc(OCCn2c([C@H](C)N3CCCCC3)nc3ccccc32)c1.
What is the InChIKey of 1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole?
The InChIKey is GSKQIHOQOVWBJR-SFHVURJKSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18(25-13-6-3-7-14-25)23-24-21-11-4-5-12-22(21)26(23)15-16-28-20-10-8-9-19(17-20)27-2/h4-5,8-12,17-18H,3,6-7,13-16H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole?
1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole has a molecular weight of 379.50 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole is sourced from PubChem (CID 96571175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).