(6-fluoro-1H-benzimidazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

C17H18FN5O — CID 95354406

IUPAC(6-fluoro-1H-benzimidazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(F)cc2[nH]cnc12)N1CCCC[C@H]1Cn1cccn1
InChIInChI=1S/C17H18FN5O/c18-12-8-14(16-15(9-12)19-11-20-16)17(24)23-7-2-1-4-13(23)10-22-6-3-5-21-22/h3,5-6,8-9,11,13H,1-2,4,7,10H2,(H,19,20)/t13-/m0/s1
InChIKeyYTQMXULXEZVLDB-ZDUSSCGKSA-N
MW327.36 g/mol
LogP2.59
Rot. Bonds3

About (6-fluoro-1H-benzimidazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

(6-fluoro-1H-benzimidazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 95354406) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is (6-fluoro-1H-benzimidazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-1H-benzimidazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID95354406
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name(6-fluoro-1H-benzimidazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(F)cc2[nH]cnc12)N1CCCC[C@H]1Cn1cccn1
InChIInChI=1S/C17H18FN5O/c18-12-8-14(16-15(9-12)19-11-20-16)17(24)23-7-2-1-4-13(23)10-22-6-3-5-21-22/h3,5-6,8-9,11,13H,1-2,4,7,10H2,(H,19,20)/t13-/m0/s1
InChIKeyYTQMXULXEZVLDB-ZDUSSCGKSA-N
XLogP2.59
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427532
(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427531
1,6-dimethyl-3-[(2S)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-2-one
CID 95347276
[2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
CID 139002837
(4-chloro-1H-pyrrol-2-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602653
(4-bromo-1H-pyrrol-2-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 56778866
[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
CID 136526441
(2-piperidin-1-yl-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603771
1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 97085040
(2-methylfuran-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95345998
1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95343101
(2,5-dichlorothiophen-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603586

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-benzimidazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (6-fluoro-1H-benzimidazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (CID 95354406) is (6-fluoro-1H-benzimidazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-1H-benzimidazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-fluoro-1H-benzimidazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1cc(F)cc2[nH]cnc12)N1CCCC[C@H]1Cn1cccn1.
What is the InChIKey of (6-fluoro-1H-benzimidazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is YTQMXULXEZVLDB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18FN5O/c18-12-8-14(16-15(9-12)19-11-20-16)17(24)23-7-2-1-4-13(23)10-22-6-3-5-21-22/h3,5-6,8-9,11,13H,1-2,4,7,10H2,(H,19,20)/t13-/m0/s1.
What are the key properties of (6-fluoro-1H-benzimidazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
(6-fluoro-1H-benzimidazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 327.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-benzimidazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95354406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).