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

C23H27N3 — CID 70063002

IUPAC4-methyl-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazole
SMILESCc1cccc2c1ncn2CCCCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C23H27N3/c1-19-8-7-11-22-23(19)24-18-26(22)15-6-5-14-25-16-12-21(13-17-25)20-9-3-2-4-10-20/h2-4,7-12,18H,5-6,13-17H2,1H3
InChIKeyNPEKZNYQTLPSSX-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.91
Rot. Bonds6

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

4-methyl-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazole (PubChem CID 70063002) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-methyl-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazole.

Molecular Properties

Compound Name4-methyl-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazole
PubChem CID70063002
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name4-methyl-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazole
SMILESCc1cccc2c1ncn2CCCCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C23H27N3/c1-19-8-7-11-22-23(19)24-18-26(22)15-6-5-14-25-16-12-21(13-17-25)20-9-3-2-4-10-20/h2-4,7-12,18H,5-6,13-17H2,1H3
InChIKeyNPEKZNYQTLPSSX-UHFFFAOYSA-N
XLogP4.91
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazole?
The IUPAC name of 4-methyl-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazole (CID 70063002) is 4-methyl-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazole.
What is the SMILES notation for 4-methyl-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazole?
The canonical SMILES for 4-methyl-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazole is Cc1cccc2c1ncn2CCCCN1CC=C(c2ccccc2)CC1.
What is the InChIKey of 4-methyl-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazole?
The InChIKey is NPEKZNYQTLPSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1-19-8-7-11-22-23(19)24-18-26(22)15-6-5-14-25-16-12-21(13-17-25)20-9-3-2-4-10-20/h2-4,7-12,18H,5-6,13-17H2,1H3.
What are the key properties of 4-methyl-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazole?
4-methyl-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazole has a molecular weight of 345.49 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazole is sourced from PubChem (CID 70063002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).