2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole

C20H29FN4O — CID 59360903

IUPAC2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole
SMILESCCOc1nc2cc(F)ccc2n1C1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C20H29FN4O/c1-2-26-20-23-18-13-16(21)3-4-19(18)25(20)17-7-11-24(12-8-17)14-15-5-9-22-10-6-15/h3-4,13,15,17,22H,2,5-12,14H2,1H3
InChIKeyHBLOTISPYZSXPI-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.21
Rot. Bonds5

About 2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole

2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole (PubChem CID 59360903) has the molecular formula C20H29FN4O and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole.

Molecular Properties

Compound Name2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole
PubChem CID59360903
Molecular FormulaC20H29FN4O
Molecular Weight360.48 g/mol
Exact Mass360.23
IUPAC Name2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole
SMILESCCOc1nc2cc(F)ccc2n1C1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C20H29FN4O/c1-2-26-20-23-18-13-16(21)3-4-19(18)25(20)17-7-11-24(12-8-17)14-15-5-9-22-10-6-15/h3-4,13,15,17,22H,2,5-12,14H2,1H3
InChIKeyHBLOTISPYZSXPI-UHFFFAOYSA-N
XLogP3.21
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-methylsulfanyl-1-[1-[[1-(pyridazin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-4-yl]benzimidazole
CID 21050412
1-cyclopropyl-2-(diethoxymethyl)-5-fluorobenzimidazole
CID 63770973
4-(5-fluoro-1-piperidin-4-ylbenzimidazol-2-yl)morpholine
CID 21050413
6-[[4-(2-ethyl-5-fluorobenzimidazol-1-yl)piperidin-1-yl]methyl]quinoxaline
CID 42165389
4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119931258
1-cyclopropyl-2-(3-ethylpiperidin-3-yl)-5-fluorobenzimidazole
CID 63133597
5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine
CID 84796895
5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine
CID 63546950
5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole
CID 82332332
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
1-[1-[1-[(5-fluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-5-methylbenzimidazol-2-yl]-2-methylpropan-2-ol
CID 68847591
1-cyclopropyl-5-fluoro-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 63144709

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole?
The IUPAC name of 2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole (CID 59360903) is 2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole.
What is the SMILES notation for 2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole?
The canonical SMILES for 2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole is CCOc1nc2cc(F)ccc2n1C1CCN(CC2CCNCC2)CC1.
What is the InChIKey of 2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole?
The InChIKey is HBLOTISPYZSXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4O/c1-2-26-20-23-18-13-16(21)3-4-19(18)25(20)17-7-11-24(12-8-17)14-15-5-9-22-10-6-15/h3-4,13,15,17,22H,2,5-12,14H2,1H3.
What are the key properties of 2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole?
2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole has a molecular weight of 360.48 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-fluoro-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]benzimidazole is sourced from PubChem (CID 59360903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).