2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole

C18H20N4 — CID 16798070

IUPAC2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
SMILESc1ccc(CN2CCC(c3nc4ccccc4[nH]3)CC2)nc1
InChIInChI=1S/C18H20N4/c1-2-7-17-16(6-1)20-18(21-17)14-8-11-22(12-9-14)13-15-5-3-4-10-19-15/h1-7,10,14H,8-9,11-13H2,(H,20,21)
InChIKeyCECRFUQOWCNQCX-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.34
Rot. Bonds3

About 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole

2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole (PubChem CID 16798070) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
PubChem CID16798070
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
SMILESc1ccc(CN2CCC(c3nc4ccccc4[nH]3)CC2)nc1
InChIInChI=1S/C18H20N4/c1-2-7-17-16(6-1)20-18(21-17)14-8-11-22(12-9-14)13-15-5-3-4-10-19-15/h1-7,10,14H,8-9,11-13H2,(H,20,21)
InChIKeyCECRFUQOWCNQCX-UHFFFAOYSA-N
XLogP3.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56787398
2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 24731939
2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 74246859
2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 135290527
5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897963
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
CID 111112410
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790
2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine
CID 141272197
2-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyridine
CID 16667834
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole (CID 16798070) is 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole is c1ccc(CN2CCC(c3nc4ccccc4[nH]3)CC2)nc1.
What is the InChIKey of 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole?
The InChIKey is CECRFUQOWCNQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-7-17-16(6-1)20-18(21-17)14-8-11-22(12-9-14)13-15-5-3-4-10-19-15/h1-7,10,14H,8-9,11-13H2,(H,20,21).
What are the key properties of 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole?
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole has a molecular weight of 292.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 16798070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).