1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole

C20H24N4 — CID 138031162

IUPAC1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole
SMILESCc1ncccc1CN1CCCC(Cn2cnc3ccccc32)C1
InChIInChI=1S/C20H24N4/c1-16-18(7-4-10-21-16)14-23-11-5-6-17(12-23)13-24-15-22-19-8-2-3-9-20(19)24/h2-4,7-10,15,17H,5-6,11-14H2,1H3
InChIKeyMEIZJVQGGWEVMB-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.65
Rot. Bonds4

About 1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole

1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole (PubChem CID 138031162) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole
PubChem CID138031162
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole
SMILESCc1ncccc1CN1CCCC(Cn2cnc3ccccc32)C1
InChIInChI=1S/C20H24N4/c1-16-18(7-4-10-21-16)14-23-11-5-6-17(12-23)13-24-15-22-19-8-2-3-9-20(19)24/h2-4,7-10,15,17H,5-6,11-14H2,1H3
InChIKeyMEIZJVQGGWEVMB-UHFFFAOYSA-N
XLogP3.65
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]benzimidazole
CID 126836065
2-methyl-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130158747
3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide
CID 126827644
1-[[1-[(4-iodophenyl)methyl]piperidin-4-yl]methyl]benzimidazole
CID 57328320
2-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 62470433
3-methyl-1-[[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 95707908
methyl 4-[[4-(benzimidazol-1-ylmethyl)piperidin-1-yl]methyl]benzoate;oxalic acid
CID 71780888
2-[1-[(2-hydrazinyl-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 107228801
1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone
CID 99797712
2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole
CID 46981224
2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine
CID 115688607
2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]pyridine
CID 95317619

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole?
The IUPAC name of 1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole (CID 138031162) is 1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole.
What is the SMILES notation for 1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole?
The canonical SMILES for 1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole is Cc1ncccc1CN1CCCC(Cn2cnc3ccccc32)C1.
What is the InChIKey of 1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole?
The InChIKey is MEIZJVQGGWEVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-16-18(7-4-10-21-16)14-23-11-5-6-17(12-23)13-24-15-22-19-8-2-3-9-20(19)24/h2-4,7-10,15,17H,5-6,11-14H2,1H3.
What are the key properties of 1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole?
1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole has a molecular weight of 320.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-methyl-3-pyridinyl)methyl]piperidin-3-yl]methyl]benzimidazole is sourced from PubChem (CID 138031162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).