2-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-4-yl]-9-propan-2-yl-1,10-phenanthroline;ethene

C31H29N5 — CID 145151650

IUPAC2-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-4-yl]-9-propan-2-yl-1,10-phenanthroline;ethene
SMILESC=C.Cc1cc(-n2cnc3c(-c4ccc5ccc6ccc(C(C)C)nc6c5n4)cccc32)cc(C)n1
InChIInChI=1S/C29H25N5.C2H4/c1-17(2)24-12-10-20-8-9-21-11-13-25(33-28(21)27(20)32-24)23-6-5-7-26-29(23)30-16-34(26)22-14-18(3)31-19(4)15-22;1-2/h5-17H,1-4H3;1-2H2
InChIKeyBDXPKHSPDKEGIS-UHFFFAOYSA-N
MW471.61 g/mol
LogP7.73
Rot. Bonds3

About 2-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-4-yl]-9-propan-2-yl-1,10-phenanthroline;ethene

2-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-4-yl]-9-propan-2-yl-1,10-phenanthroline;ethene (PubChem CID 145151650) has the molecular formula C31H29N5 and a molecular weight of 471.61 g/mol. Its IUPAC name is 2-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-4-yl]-9-propan-2-yl-1,10-phenanthroline;ethene.

Molecular Properties

Compound Name2-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-4-yl]-9-propan-2-yl-1,10-phenanthroline;ethene
PubChem CID145151650
Molecular FormulaC31H29N5
Molecular Weight471.61 g/mol
Exact Mass471.24
IUPAC Name2-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-4-yl]-9-propan-2-yl-1,10-phenanthroline;ethene
SMILESC=C.Cc1cc(-n2cnc3c(-c4ccc5ccc6ccc(C(C)C)nc6c5n4)cccc32)cc(C)n1
InChIInChI=1S/C29H25N5.C2H4/c1-17(2)24-12-10-20-8-9-21-11-13-25(33-28(21)27(20)32-24)23-6-5-7-26-29(23)30-16-34(26)22-14-18(3)31-19(4)15-22;1-2/h5-17H,1-4H3;1-2H2
InChIKeyBDXPKHSPDKEGIS-UHFFFAOYSA-N
XLogP7.73
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.61
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-4-yl]-9-propan-2-yl-1,10-phenanthroline;ethene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-4-yl]-9-propan-2-yl-1,10-phenanthroline;ethene?
The IUPAC name of 2-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-4-yl]-9-propan-2-yl-1,10-phenanthroline;ethene (CID 145151650) is 2-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-4-yl]-9-propan-2-yl-1,10-phenanthroline;ethene.
What is the SMILES notation for 2-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-4-yl]-9-propan-2-yl-1,10-phenanthroline;ethene?
The canonical SMILES for 2-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-4-yl]-9-propan-2-yl-1,10-phenanthroline;ethene is C=C.Cc1cc(-n2cnc3c(-c4ccc5ccc6ccc(C(C)C)nc6c5n4)cccc32)cc(C)n1.
What is the InChIKey of 2-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-4-yl]-9-propan-2-yl-1,10-phenanthroline;ethene?
The InChIKey is BDXPKHSPDKEGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5.C2H4/c1-17(2)24-12-10-20-8-9-21-11-13-25(33-28(21)27(20)32-24)23-6-5-7-26-29(23)30-16-34(26)22-14-18(3)31-19(4)15-22;1-2/h5-17H,1-4H3;1-2H2.
What are the key properties of 2-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-4-yl]-9-propan-2-yl-1,10-phenanthroline;ethene?
2-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-4-yl]-9-propan-2-yl-1,10-phenanthroline;ethene has a molecular weight of 471.61 g/mol, XLogP of 7.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-4-yl]-9-propan-2-yl-1,10-phenanthroline;ethene is sourced from PubChem (CID 145151650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).