2-[2-[2-cyclopropyl-4-methyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]phenyl]benzonitrile

C29H25N5O — CID 67880803

IUPAC2-[2-[2-cyclopropyl-4-methyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]phenyl]benzonitrile
SMILESCc1c(C2=NNC(=O)CC2C)ccc2c1nc(C1CC1)n2-c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C29H25N5O/c1-17-15-26(35)32-33-27(17)21-13-14-25-28(18(21)2)31-29(19-11-12-19)34(25)24-10-6-5-9-23(24)22-8-4-3-7-20(22)16-30/h3-10,13-14,17,19H,11-12,15H2,1-2H3,(H,32,35)
InChIKeyWFSPXMIMZJDBFX-UHFFFAOYSA-N
MW459.55 g/mol
LogP5.61
Rot. Bonds4

About 2-[2-[2-cyclopropyl-4-methyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]phenyl]benzonitrile

2-[2-[2-cyclopropyl-4-methyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]phenyl]benzonitrile (PubChem CID 67880803) has the molecular formula C29H25N5O and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-[2-[2-cyclopropyl-4-methyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[2-[2-cyclopropyl-4-methyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]phenyl]benzonitrile
PubChem CID67880803
Molecular FormulaC29H25N5O
Molecular Weight459.55 g/mol
Exact Mass459.21
IUPAC Name2-[2-[2-cyclopropyl-4-methyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]phenyl]benzonitrile
SMILESCc1c(C2=NNC(=O)CC2C)ccc2c1nc(C1CC1)n2-c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C29H25N5O/c1-17-15-26(35)32-33-27(17)21-13-14-25-28(18(21)2)31-29(19-11-12-19)34(25)24-10-6-5-9-23(24)22-8-4-3-7-20(22)16-30/h3-10,13-14,17,19H,11-12,15H2,1-2H3,(H,32,35)
InChIKeyWFSPXMIMZJDBFX-UHFFFAOYSA-N
XLogP5.61
TPSA83.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-cyclopropyl-4-methyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]phenyl]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-chloro-4-methyl-6-oxo-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-1-yl]benzonitrile
CID 90879625
2-[2-[3,6-bis[3,5-bis(3,5-ditert-butylphenyl)phenyl]carbazol-9-yl]phenyl]benzonitrile
CID 169284686
6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 67880667
2-[2-(3-amino-6-butyl-4-methyl-2-oxo-1-pyridinyl)phenyl]benzonitrile
CID 67880621
2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile
CID 3033825
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzonitrile
CID 55139505
2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 175219290
2-(4-methylpiperidin-1-yl)benzonitrile
CID 14931104
4-[2-[6,9-bis[2-(2,4-dicyanophenyl)phenyl]carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile
CID 122431631
2-[2-[3-(benzylamino)-6-butyl-4-methyl-2-oxo-1-pyridinyl]phenyl]benzonitrile
CID 67880663
6-methyl-N-[3-methyl-4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyridine-2-carboxamide
CID 10131846
N-[[6-butyl-1-[2-(2-cyanophenyl)phenyl]-4-methyl-2-oxo-3-pyridinyl]methyl]-N-methylacetamide
CID 67880624

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-cyclopropyl-4-methyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]phenyl]benzonitrile?
The IUPAC name of 2-[2-[2-cyclopropyl-4-methyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]phenyl]benzonitrile (CID 67880803) is 2-[2-[2-cyclopropyl-4-methyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[2-[2-cyclopropyl-4-methyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[2-[2-cyclopropyl-4-methyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]phenyl]benzonitrile is Cc1c(C2=NNC(=O)CC2C)ccc2c1nc(C1CC1)n2-c1ccccc1-c1ccccc1C#N.
What is the InChIKey of 2-[2-[2-cyclopropyl-4-methyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]phenyl]benzonitrile?
The InChIKey is WFSPXMIMZJDBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O/c1-17-15-26(35)32-33-27(17)21-13-14-25-28(18(21)2)31-29(19-11-12-19)34(25)24-10-6-5-9-23(24)22-8-4-3-7-20(22)16-30/h3-10,13-14,17,19H,11-12,15H2,1-2H3,(H,32,35).
What are the key properties of 2-[2-[2-cyclopropyl-4-methyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]phenyl]benzonitrile?
2-[2-[2-cyclopropyl-4-methyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]phenyl]benzonitrile has a molecular weight of 459.55 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-cyclopropyl-4-methyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzimidazol-1-yl]phenyl]benzonitrile is sourced from PubChem (CID 67880803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).