1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole

C19H24FN5 — CID 95781192

IUPAC1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole
SMILESCCn1c(CN2CCC[C@@H](c3ccnn3C)C2)nc2cc(F)ccc21
InChIInChI=1S/C19H24FN5/c1-3-25-18-7-6-15(20)11-16(18)22-19(25)13-24-10-4-5-14(12-24)17-8-9-21-23(17)2/h6-9,11,14H,3-5,10,12-13H2,1-2H3/t14-/m1/s1
InChIKeyJPHMAGMGVCTGMB-CQSZACIVSA-N
MW341.43 g/mol
LogP3.31
Rot. Bonds4

About 1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole

1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole (PubChem CID 95781192) has the molecular formula C19H24FN5 and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole
PubChem CID95781192
Molecular FormulaC19H24FN5
Molecular Weight341.43 g/mol
Exact Mass341.20
IUPAC Name1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole
SMILESCCn1c(CN2CCC[C@@H](c3ccnn3C)C2)nc2cc(F)ccc21
InChIInChI=1S/C19H24FN5/c1-3-25-18-7-6-15(20)11-16(18)22-19(25)13-24-10-4-5-14(12-24)17-8-9-21-23(17)2/h6-9,11,14H,3-5,10,12-13H2,1-2H3/t14-/m1/s1
InChIKeyJPHMAGMGVCTGMB-CQSZACIVSA-N
XLogP3.31
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole
CID 95781193
2-(1,4-diazepan-1-ylmethyl)-1-ethyl-5-fluorobenzimidazole;dihydrochloride
CID 119907069
4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 71967888
1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole
CID 52879080
2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82310602
3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
CID 71933837
[(3R,4R)-1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120759715
1-ethyl-5-fluoro-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole
CID 52521339
2-[[4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606698
1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol
CID 111106832
2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol
CID 82311641
2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-1-ethyl-5-fluorobenzimidazole
CID 79612176

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole (CID 95781192) is 1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole is CCn1c(CN2CCC[C@@H](c3ccnn3C)C2)nc2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole?
The InChIKey is JPHMAGMGVCTGMB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24FN5/c1-3-25-18-7-6-15(20)11-16(18)22-19(25)13-24-10-4-5-14(12-24)17-8-9-21-23(17)2/h6-9,11,14H,3-5,10,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole?
1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole has a molecular weight of 341.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 95781192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).