1-[(6-methyl-2-pyridinyl)methyl]-2-(piperidin-4-ylmethyl)benzimidazole

C20H24N4 — CID 20819849

IUPAC1-[(6-methyl-2-pyridinyl)methyl]-2-(piperidin-4-ylmethyl)benzimidazole
SMILESCc1cccc(Cn2c(CC3CCNCC3)nc3ccccc32)n1
InChIInChI=1S/C20H24N4/c1-15-5-4-6-17(22-15)14-24-19-8-3-2-7-18(19)23-20(24)13-16-9-11-21-12-10-16/h2-8,16,21H,9-14H2,1H3
InChIKeyPXSUDFYASIXSHS-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.33
Rot. Bonds4

About 1-[(6-methyl-2-pyridinyl)methyl]-2-(piperidin-4-ylmethyl)benzimidazole

1-[(6-methyl-2-pyridinyl)methyl]-2-(piperidin-4-ylmethyl)benzimidazole (PubChem CID 20819849) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]-2-(piperidin-4-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methyl]-2-(piperidin-4-ylmethyl)benzimidazole
PubChem CID20819849
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name1-[(6-methyl-2-pyridinyl)methyl]-2-(piperidin-4-ylmethyl)benzimidazole
SMILESCc1cccc(Cn2c(CC3CCNCC3)nc3ccccc32)n1
InChIInChI=1S/C20H24N4/c1-15-5-4-6-17(22-15)14-24-19-8-3-2-7-18(19)23-20(24)13-16-9-11-21-12-10-16/h2-8,16,21H,9-14H2,1H3
InChIKeyPXSUDFYASIXSHS-UHFFFAOYSA-N
XLogP3.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride
CID 171779762
1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 79615142
1-phenyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 14012865
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
CID 511008
1-(piperidin-4-ylmethyl)-2-propylbenzimidazole
CID 82149668
N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride
CID 22036977
N',N'-dibenzyl-N-[1-[[1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diamine
CID 20819908
2-bromo-1-(piperidin-4-ylmethyl)benzimidazole
CID 84815298
1-(2-methoxyethyl)-2-(2-piperidin-4-ylethyl)benzimidazole
CID 62389696
1-(piperidin-4-ylmethyl)-2-thiophen-2-ylbenzimidazole
CID 82149676
2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707187
1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689788

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-2-(piperidin-4-ylmethyl)benzimidazole?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-2-(piperidin-4-ylmethyl)benzimidazole (CID 20819849) is 1-[(6-methyl-2-pyridinyl)methyl]-2-(piperidin-4-ylmethyl)benzimidazole.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]-2-(piperidin-4-ylmethyl)benzimidazole?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]-2-(piperidin-4-ylmethyl)benzimidazole is Cc1cccc(Cn2c(CC3CCNCC3)nc3ccccc32)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]-2-(piperidin-4-ylmethyl)benzimidazole?
The InChIKey is PXSUDFYASIXSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-15-5-4-6-17(22-15)14-24-19-8-3-2-7-18(19)23-20(24)13-16-9-11-21-12-10-16/h2-8,16,21H,9-14H2,1H3.
What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]-2-(piperidin-4-ylmethyl)benzimidazole?
1-[(6-methyl-2-pyridinyl)methyl]-2-(piperidin-4-ylmethyl)benzimidazole has a molecular weight of 320.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)methyl]-2-(piperidin-4-ylmethyl)benzimidazole is sourced from PubChem (CID 20819849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).