2-(2-methoxy-3-pyridinyl)-4-methyl-6-piperidin-4-yl-1H-benzimidazole

C19H22N4O — CID 45487378

IUPAC2-(2-methoxy-3-pyridinyl)-4-methyl-6-piperidin-4-yl-1H-benzimidazole
SMILESCOc1ncccc1-c1nc2c(C)cc(C3CCNCC3)cc2[nH]1
InChIInChI=1S/C19H22N4O/c1-12-10-14(13-5-8-20-9-6-13)11-16-17(12)23-18(22-16)15-4-3-7-21-19(15)24-2/h3-4,7,10-11,13,20H,5-6,8-9H2,1-2H3,(H,22,23)
InChIKeyGNDGXNJHUCRMOH-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.41
Rot. Bonds3

About 2-(2-methoxy-3-pyridinyl)-4-methyl-6-piperidin-4-yl-1H-benzimidazole

2-(2-methoxy-3-pyridinyl)-4-methyl-6-piperidin-4-yl-1H-benzimidazole (PubChem CID 45487378) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(2-methoxy-3-pyridinyl)-4-methyl-6-piperidin-4-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-methoxy-3-pyridinyl)-4-methyl-6-piperidin-4-yl-1H-benzimidazole
PubChem CID45487378
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-(2-methoxy-3-pyridinyl)-4-methyl-6-piperidin-4-yl-1H-benzimidazole
SMILESCOc1ncccc1-c1nc2c(C)cc(C3CCNCC3)cc2[nH]1
InChIInChI=1S/C19H22N4O/c1-12-10-14(13-5-8-20-9-6-13)11-16-17(12)23-18(22-16)15-4-3-7-21-19(15)24-2/h3-4,7,10-11,13,20H,5-6,8-9H2,1-2H3,(H,22,23)
InChIKeyGNDGXNJHUCRMOH-UHFFFAOYSA-N
XLogP3.41
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-pyridinyl)-4-methyl-6-piperidin-4-yl-1H-benzimidazole?
The IUPAC name of 2-(2-methoxy-3-pyridinyl)-4-methyl-6-piperidin-4-yl-1H-benzimidazole (CID 45487378) is 2-(2-methoxy-3-pyridinyl)-4-methyl-6-piperidin-4-yl-1H-benzimidazole.
What is the SMILES notation for 2-(2-methoxy-3-pyridinyl)-4-methyl-6-piperidin-4-yl-1H-benzimidazole?
The canonical SMILES for 2-(2-methoxy-3-pyridinyl)-4-methyl-6-piperidin-4-yl-1H-benzimidazole is COc1ncccc1-c1nc2c(C)cc(C3CCNCC3)cc2[nH]1.
What is the InChIKey of 2-(2-methoxy-3-pyridinyl)-4-methyl-6-piperidin-4-yl-1H-benzimidazole?
The InChIKey is GNDGXNJHUCRMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12-10-14(13-5-8-20-9-6-13)11-16-17(12)23-18(22-16)15-4-3-7-21-19(15)24-2/h3-4,7,10-11,13,20H,5-6,8-9H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-methoxy-3-pyridinyl)-4-methyl-6-piperidin-4-yl-1H-benzimidazole?
2-(2-methoxy-3-pyridinyl)-4-methyl-6-piperidin-4-yl-1H-benzimidazole has a molecular weight of 322.41 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-pyridinyl)-4-methyl-6-piperidin-4-yl-1H-benzimidazole is sourced from PubChem (CID 45487378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).