2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole

C18H23N5 — CID 74246859

IUPAC2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole
SMILESCCc1cc(CN2CCC(c3nc4ccccc4[nH]3)CC2)[nH]n1
InChIInChI=1S/C18H23N5/c1-2-14-11-15(22-21-14)12-23-9-7-13(8-10-23)18-19-16-5-3-4-6-17(16)20-18/h3-6,11,13H,2,7-10,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyLILQBTZHILQHPZ-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.23
Rot. Bonds4

About 2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole

2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole (PubChem CID 74246859) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole
PubChem CID74246859
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole
SMILESCCc1cc(CN2CCC(c3nc4ccccc4[nH]3)CC2)[nH]n1
InChIInChI=1S/C18H23N5/c1-2-14-11-15(22-21-14)12-23-9-7-13(8-10-23)18-19-16-5-3-4-6-17(16)20-18/h3-6,11,13H,2,7-10,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyLILQBTZHILQHPZ-UHFFFAOYSA-N
XLogP3.23
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56787398
2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56785941
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 24731939
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
CID 111112410
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115
2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole
CID 10087324
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790
2-[1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole
CID 24731793
4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 146087786

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole (CID 74246859) is 2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole is CCc1cc(CN2CCC(c3nc4ccccc4[nH]3)CC2)[nH]n1.
What is the InChIKey of 2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
The InChIKey is LILQBTZHILQHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-2-14-11-15(22-21-14)12-23-9-7-13(8-10-23)18-19-16-5-3-4-6-17(16)20-18/h3-6,11,13H,2,7-10,12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole has a molecular weight of 309.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 74246859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).