2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol

C19H24FN5O — CID 77082878

IUPAC2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1CCCCC1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C19H24FN5O/c1-13-14(12-25(23-13)8-9-26)11-24-7-3-2-4-18(24)19-21-16-6-5-15(20)10-17(16)22-19/h5-6,10,12,18,26H,2-4,7-9,11H2,1H3,(H,21,22)
InChIKeyDPVOVRHCGGFPKR-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.93
Rot. Bonds5

About 2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol

2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol (PubChem CID 77082878) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol
PubChem CID77082878
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1CCCCC1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C19H24FN5O/c1-13-14(12-25(23-13)8-9-26)11-24-7-3-2-4-18(24)19-21-16-6-5-15(20)10-17(16)22-19/h5-6,10,12,18,26H,2-4,7-9,11H2,1H3,(H,21,22)
InChIKeyDPVOVRHCGGFPKR-UHFFFAOYSA-N
XLogP2.93
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol with MolForge

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Related Compounds

[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 95872746
2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole
CID 124752580
[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 118761658
3-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 56900944
6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole
CID 70716486
5-[[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 95709426
5-[[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 95718553
2-[[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one
CID 95712652
3-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide
CID 124751878
3-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide
CID 91831128
1-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 70727782
2-(3-chlorophenyl)-4-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45208727

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol (CID 77082878) is 2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol is Cc1nn(CCO)cc1CN1CCCCC1c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol?
The InChIKey is DPVOVRHCGGFPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-13-14(12-25(23-13)8-9-26)11-24-7-3-2-4-18(24)19-21-16-6-5-15(20)10-17(16)22-19/h5-6,10,12,18,26H,2-4,7-9,11H2,1H3,(H,21,22).
What are the key properties of 2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol?
2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol has a molecular weight of 357.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol is sourced from PubChem (CID 77082878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).