[2-(2-methoxyethyl)piperidin-1-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone

C21H27N5O2 — CID 45200535

IUPAC[2-(2-methoxyethyl)piperidin-1-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone
SMILESCOCCC1CCCCN1C(=O)c1cc(Cn2c(C)nc3ccccc32)[nH]n1
InChIInChI=1S/C21H27N5O2/c1-15-22-18-8-3-4-9-20(18)26(15)14-16-13-19(24-23-16)21(27)25-11-6-5-7-17(25)10-12-28-2/h3-4,8-9,13,17H,5-7,10-12,14H2,1-2H3,(H,23,24)
InChIKeyMMVGJRXNDLXVAJ-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.15
Rot. Bonds6

About [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone

[2-(2-methoxyethyl)piperidin-1-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone (PubChem CID 45200535) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(2-methoxyethyl)piperidin-1-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone
PubChem CID45200535
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name[2-(2-methoxyethyl)piperidin-1-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone
SMILESCOCCC1CCCCN1C(=O)c1cc(Cn2c(C)nc3ccccc32)[nH]n1
InChIInChI=1S/C21H27N5O2/c1-15-22-18-8-3-4-9-20(18)26(15)14-16-13-19(24-23-16)21(27)25-11-6-5-7-17(25)10-12-28-2/h3-4,8-9,13,17H,5-7,10-12,14H2,1-2H3,(H,23,24)
InChIKeyMMVGJRXNDLXVAJ-UHFFFAOYSA-N
XLogP3.15
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 25287592
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone
CID 26398742
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 94640308
[4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone
CID 126450375
(5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 70762389
[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylimidazol-4-yl)methanone
CID 138989777
(5-propyl-1H-pyrazol-3-yl)-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 97141726
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 119650372
[(2R)-2-ethylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 36703026
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 154796770
(5-methyl-1H-pyrazol-3-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70778532
5-ethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 39459014

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone?
The IUPAC name of [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone (CID 45200535) is [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone is COCCC1CCCCN1C(=O)c1cc(Cn2c(C)nc3ccccc32)[nH]n1.
What is the InChIKey of [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone?
The InChIKey is MMVGJRXNDLXVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15-22-18-8-3-4-9-20(18)26(15)14-16-13-19(24-23-16)21(27)25-11-6-5-7-17(25)10-12-28-2/h3-4,8-9,13,17H,5-7,10-12,14H2,1-2H3,(H,23,24).
What are the key properties of [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone?
[2-(2-methoxyethyl)piperidin-1-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethyl)piperidin-1-yl]-[5-[(2-methylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 45200535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).