6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole

C20H24N4O — CID 158164125

IUPAC6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc(OCCN4CCCCC4)cn3)[nH]c2c1
InChIInChI=1S/C20H24N4O/c1-15-5-7-17-19(13-15)23-20(22-17)18-8-6-16(14-21-18)25-12-11-24-9-3-2-4-10-24/h5-8,13-14H,2-4,9-12H2,1H3,(H,22,23)
InChIKeyABLFQOCMSCHGTQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.80
Rot. Bonds5

About 6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole

6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole (PubChem CID 158164125) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole
PubChem CID158164125
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc(OCCN4CCCCC4)cn3)[nH]c2c1
InChIInChI=1S/C20H24N4O/c1-15-5-7-17-19(13-15)23-20(22-17)18-8-6-16(14-21-18)25-12-11-24-9-3-2-4-10-24/h5-8,13-14H,2-4,9-12H2,1H3,(H,22,23)
InChIKeyABLFQOCMSCHGTQ-UHFFFAOYSA-N
XLogP3.80
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]piperazin-1-yl]-phenylmethanone
CID 130317673
2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole
CID 66602195
[2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol
CID 66602165
3-[5-[2-(azepan-1-yl)ethoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one
CID 177365487
2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 62958312
2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 104639104
ethane;3-[6-(2-piperidin-1-ylethoxy)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CID 142059903
N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline
CID 12051576
4-[2-[[2-(3-methyl-4-pyridinyl)-3H-benzimidazol-5-yl]oxy]ethyl]morpholine
CID 153469808
2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 11538128
2-[4-(4-dodecoxyphenyl)phenyl]-6-methyl-1H-benzimidazole
CID 102447965
2-(6-chloro-1H-indazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-1H-benzimidazole
CID 135820300

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole?
The IUPAC name of 6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole (CID 158164125) is 6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole is Cc1ccc2nc(-c3ccc(OCCN4CCCCC4)cn3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole?
The InChIKey is ABLFQOCMSCHGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-5-7-17-19(13-15)23-20(22-17)18-8-6-16(14-21-18)25-12-11-24-9-3-2-4-10-24/h5-8,13-14H,2-4,9-12H2,1H3,(H,22,23).
What are the key properties of 6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole?
6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole has a molecular weight of 336.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 158164125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).