1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole

C18H22FN5 — CID 95781193

IUPAC1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole
SMILESCCn1c(CN2CCC[C@H](c3ccn[nH]3)C2)nc2cc(F)ccc21
InChIInChI=1S/C18H22FN5/c1-2-24-17-6-5-14(19)10-16(17)21-18(24)12-23-9-3-4-13(11-23)15-7-8-20-22-15/h5-8,10,13H,2-4,9,11-12H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyUHFGLQHLSZGRNO-ZDUSSCGKSA-N
MW327.41 g/mol
LogP3.30
Rot. Bonds4

About 1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole

1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole (PubChem CID 95781193) has the molecular formula C18H22FN5 and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole
PubChem CID95781193
Molecular FormulaC18H22FN5
Molecular Weight327.41 g/mol
Exact Mass327.19
IUPAC Name1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole
SMILESCCn1c(CN2CCC[C@H](c3ccn[nH]3)C2)nc2cc(F)ccc21
InChIInChI=1S/C18H22FN5/c1-2-24-17-6-5-14(19)10-16(17)21-18(24)12-23-9-3-4-13(11-23)15-7-8-20-22-15/h5-8,10,13H,2-4,9,11-12H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyUHFGLQHLSZGRNO-ZDUSSCGKSA-N
XLogP3.30
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole
CID 95781192
2-(1,4-diazepan-1-ylmethyl)-1-ethyl-5-fluorobenzimidazole;dihydrochloride
CID 119907069
1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 45200707
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
(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925
(3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 95845269
1-(4-methoxyphenyl)-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole
CID 95577174
(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 125016849
[(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
1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 167834795

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole (CID 95781193) is 1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole is CCn1c(CN2CCC[C@H](c3ccn[nH]3)C2)nc2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole?
The InChIKey is UHFGLQHLSZGRNO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22FN5/c1-2-24-17-6-5-14(19)10-16(17)21-18(24)12-23-9-3-4-13(11-23)15-7-8-20-22-15/h5-8,10,13H,2-4,9,11-12H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole?
1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole has a molecular weight of 327.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 95781193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).