2-[(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-benzimidazole

C18H18N4 — CID 11392147

IUPAC2-[(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-benzimidazole
SMILESC1=C(c2ccccn2)CCN(Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H18N4/c1-2-7-17-16(6-1)20-18(21-17)13-22-11-8-14(9-12-22)15-5-3-4-10-19-15/h1-8,10H,9,11-13H2,(H,20,21)
InChIKeyPSXITITZQSEYMQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.25
Rot. Bonds3

About 2-[(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-benzimidazole

2-[(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-benzimidazole (PubChem CID 11392147) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-benzimidazole
PubChem CID11392147
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-[(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-benzimidazole
SMILESC1=C(c2ccccn2)CCN(Cc2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H18N4/c1-2-7-17-16(6-1)20-18(21-17)13-22-11-8-14(9-12-22)15-5-3-4-10-19-15/h1-8,10H,9,11-13H2,(H,20,21)
InChIKeyPSXITITZQSEYMQ-UHFFFAOYSA-N
XLogP3.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-benzimidazole (CID 11392147) is 2-[(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-benzimidazole is C1=C(c2ccccn2)CCN(Cc2nc3ccccc3[nH]2)C1.
What is the InChIKey of 2-[(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-benzimidazole?
The InChIKey is PSXITITZQSEYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-2-7-17-16(6-1)20-18(21-17)13-22-11-8-14(9-12-22)15-5-3-4-10-19-15/h1-8,10H,9,11-13H2,(H,20,21).
What are the key properties of 2-[(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-benzimidazole?
2-[(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-benzimidazole has a molecular weight of 290.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 11392147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).