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

C22H25N3 — CID 54405466

IUPAC1-methyl-2-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole
SMILESCn1c(CN2CC=C(CCc3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C22H25N3/c1-24-21-10-6-5-9-20(21)23-22(24)17-25-15-13-19(14-16-25)12-11-18-7-3-2-4-8-18/h2-10,13H,11-12,14-17H2,1H3
InChIKeyVQJJBPNPFODHQV-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.34
Rot. Bonds5

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

1-methyl-2-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole (PubChem CID 54405466) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-methyl-2-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole
PubChem CID54405466
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name1-methyl-2-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole
SMILESCn1c(CN2CC=C(CCc3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C22H25N3/c1-24-21-10-6-5-9-20(21)23-22(24)17-25-15-13-19(14-16-25)12-11-18-7-3-2-4-8-18/h2-10,13H,11-12,14-17H2,1H3
InChIKeyVQJJBPNPFODHQV-UHFFFAOYSA-N
XLogP4.34
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-methyl-2-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole (CID 54405466) is 1-methyl-2-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole is Cn1c(CN2CC=C(CCc3ccccc3)CC2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole?
The InChIKey is VQJJBPNPFODHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-24-21-10-6-5-9-20(21)23-22(24)17-25-15-13-19(14-16-25)12-11-18-7-3-2-4-8-18/h2-10,13H,11-12,14-17H2,1H3.
What are the key properties of 1-methyl-2-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole?
1-methyl-2-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole has a molecular weight of 331.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[4-(2-phenylethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 54405466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).