5-[4-(3-methylphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-propan-2-yl-1H-benzimidazol-2-one

C24H22N6O — CID 23581526

IUPAC5-[4-(3-methylphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCc1cccc(-c2nc(-c3cnccn3)[nH]c2-c2ccc3[nH]c(=O)n(C(C)C)c3c2)c1
InChIInChI=1S/C24H22N6O/c1-14(2)30-20-12-17(7-8-18(20)27-24(30)31)22-21(16-6-4-5-15(3)11-16)28-23(29-22)19-13-25-9-10-26-19/h4-14H,1-3H3,(H,27,31)(H,28,29)
InChIKeyLVUXAKPNJYETKU-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.73
Rot. Bonds4

About 5-[4-(3-methylphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-propan-2-yl-1H-benzimidazol-2-one

5-[4-(3-methylphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-propan-2-yl-1H-benzimidazol-2-one (PubChem CID 23581526) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 5-[4-(3-methylphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-propan-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-[4-(3-methylphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-propan-2-yl-1H-benzimidazol-2-one
PubChem CID23581526
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name5-[4-(3-methylphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCc1cccc(-c2nc(-c3cnccn3)[nH]c2-c2ccc3[nH]c(=O)n(C(C)C)c3c2)c1
InChIInChI=1S/C24H22N6O/c1-14(2)30-20-12-17(7-8-18(20)27-24(30)31)22-21(16-6-4-5-15(3)11-16)28-23(29-22)19-13-25-9-10-26-19/h4-14H,1-3H3,(H,27,31)(H,28,29)
InChIKeyLVUXAKPNJYETKU-UHFFFAOYSA-N
XLogP4.73
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one
CID 23581660
5-[5-(2-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one
CID 23581651
3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one
CID 23581491
1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one
CID 23581461
3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[4,3-b]pyridine
CID 137308947
3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one
CID 23581521
4-[2-(2,6-difluorophenyl)-4-(3-methylphenyl)-1H-imidazol-5-yl]pyridine
CID 71625692
2-(5-methyl-2-phenyl-1H-imidazol-4-yl)pyrazine
CID 20684000
6-methyl-3-propan-2-yl-1H-benzimidazol-2-one
CID 67560212
5-[2-amino-4-(3-methylphenyl)-1H-imidazol-5-yl]-1,3-diethylbenzimidazol-2-one
CID 23581594
2-(3-methylphenyl)-1H-benzo[f]benzimidazole-4,9-dione
CID 122368189
3-[4-(3-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
CID 137308906

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methylphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-propan-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 5-[4-(3-methylphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-propan-2-yl-1H-benzimidazol-2-one (CID 23581526) is 5-[4-(3-methylphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-propan-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-[4-(3-methylphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-propan-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 5-[4-(3-methylphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-propan-2-yl-1H-benzimidazol-2-one is Cc1cccc(-c2nc(-c3cnccn3)[nH]c2-c2ccc3[nH]c(=O)n(C(C)C)c3c2)c1.
What is the InChIKey of 5-[4-(3-methylphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-propan-2-yl-1H-benzimidazol-2-one?
The InChIKey is LVUXAKPNJYETKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c1-14(2)30-20-12-17(7-8-18(20)27-24(30)31)22-21(16-6-4-5-15(3)11-16)28-23(29-22)19-13-25-9-10-26-19/h4-14H,1-3H3,(H,27,31)(H,28,29).
What are the key properties of 5-[4-(3-methylphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-propan-2-yl-1H-benzimidazol-2-one?
5-[4-(3-methylphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-propan-2-yl-1H-benzimidazol-2-one has a molecular weight of 410.48 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methylphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-propan-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 23581526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).