2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol

C20H27N5O — CID 99928263

IUPAC2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1CCC[C@H](c2nc3ccccc3n2C)C1
InChIInChI=1S/C20H27N5O/c1-15-17(14-25(22-15)10-11-26)13-24-9-5-6-16(12-24)20-21-18-7-3-4-8-19(18)23(20)2/h3-4,7-8,14,16,26H,5-6,9-13H2,1-2H3/t16-/m0/s1
InChIKeyCOIZOKDDLGUVLF-INIZCTEOSA-N
MW353.47 g/mol
LogP2.45
Rot. Bonds5

About 2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol

2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol (PubChem CID 99928263) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
PubChem CID99928263
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN1CCC[C@H](c2nc3ccccc3n2C)C1
InChIInChI=1S/C20H27N5O/c1-15-17(14-25(22-15)10-11-26)13-24-9-5-6-16(12-24)20-21-18-7-3-4-8-19(18)23(20)2/h3-4,7-8,14,16,26H,5-6,9-13H2,1-2H3/t16-/m0/s1
InChIKeyCOIZOKDDLGUVLF-INIZCTEOSA-N
XLogP2.45
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol
CID 95861712
1-methyl-2-[1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
CID 46976754
1-methyl-2-[(3R)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]benzimidazole
CID 92626009
2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 77089209
2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 99950414
2-[(3S)-1-[(1,5-dimethyl-3-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1-methylbenzimidazole
CID 92626653
1-methyl-2-[1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]benzimidazole
CID 131902621
4-[[3-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75615869
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 92626417
2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 92626423
2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 51137878
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 91946961

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol (CID 99928263) is 2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)cc1CN1CCC[C@H](c2nc3ccccc3n2C)C1.
What is the InChIKey of 2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
The InChIKey is COIZOKDDLGUVLF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N5O/c1-15-17(14-25(22-15)10-11-26)13-24-9-5-6-16(12-24)20-21-18-7-3-4-8-19(18)23(20)2/h3-4,7-8,14,16,26H,5-6,9-13H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol?
2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol has a molecular weight of 353.47 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 99928263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).