1,3-dimethyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one

C24H21N5O — CID 22063896

IUPAC1,3-dimethyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one
SMILESCc1cccc(-c2nc(-c3cccnc3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C24H21N5O/c1-15-6-4-7-16(12-15)21-22(27-23(26-21)18-8-5-11-25-14-18)17-9-10-19-20(13-17)29(3)24(30)28(19)2/h4-14H,1-3H3,(H,26,27)
InChIKeyDNTYLQGBZLGVPF-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.30
Rot. Bonds3

About 1,3-dimethyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one

1,3-dimethyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one (PubChem CID 22063896) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 1,3-dimethyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one
PubChem CID22063896
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name1,3-dimethyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one
SMILESCc1cccc(-c2nc(-c3cccnc3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C24H21N5O/c1-15-6-4-7-16(12-15)21-22(27-23(26-21)18-8-5-11-25-14-18)17-9-10-19-20(13-17)29(3)24(30)28(19)2/h4-14H,1-3H3,(H,26,27)
InChIKeyDNTYLQGBZLGVPF-UHFFFAOYSA-N
XLogP4.30
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one (CID 22063896) is 1,3-dimethyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one is Cc1cccc(-c2nc(-c3cccnc3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)c1.
What is the InChIKey of 1,3-dimethyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one?
The InChIKey is DNTYLQGBZLGVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-15-6-4-7-16(12-15)21-22(27-23(26-21)18-8-5-11-25-14-18)17-9-10-19-20(13-17)29(3)24(30)28(19)2/h4-14H,1-3H3,(H,26,27).
What are the key properties of 1,3-dimethyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one?
1,3-dimethyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one has a molecular weight of 395.47 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one is sourced from PubChem (CID 22063896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).