3-methyl-5-[2-(5-methyl-2-pyrazin-2-ylphenyl)-1H-imidazol-5-yl]-1-pyridin-3-ylbenzimidazol-2-one

C27H21N7O — CID 91409317

IUPAC3-methyl-5-[2-(5-methyl-2-pyrazin-2-ylphenyl)-1H-imidazol-5-yl]-1-pyridin-3-ylbenzimidazol-2-one
SMILESCc1ccc(-c2cnccn2)c(-c2ncc(-c3ccc4c(c3)n(C)c(=O)n4-c3cccnc3)[nH]2)c1
InChIInChI=1S/C27H21N7O/c1-17-5-7-20(23-15-29-10-11-30-23)21(12-17)26-31-16-22(32-26)18-6-8-24-25(13-18)33(2)27(35)34(24)19-4-3-9-28-14-19/h3-16H,1-2H3,(H,31,32)
InChIKeyRAQDWTVUCFJMDW-UHFFFAOYSA-N
MW459.51 g/mol
LogP4.55
Rot. Bonds4

About 3-methyl-5-[2-(5-methyl-2-pyrazin-2-ylphenyl)-1H-imidazol-5-yl]-1-pyridin-3-ylbenzimidazol-2-one

3-methyl-5-[2-(5-methyl-2-pyrazin-2-ylphenyl)-1H-imidazol-5-yl]-1-pyridin-3-ylbenzimidazol-2-one (PubChem CID 91409317) has the molecular formula C27H21N7O and a molecular weight of 459.51 g/mol. Its IUPAC name is 3-methyl-5-[2-(5-methyl-2-pyrazin-2-ylphenyl)-1H-imidazol-5-yl]-1-pyridin-3-ylbenzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-5-[2-(5-methyl-2-pyrazin-2-ylphenyl)-1H-imidazol-5-yl]-1-pyridin-3-ylbenzimidazol-2-one
PubChem CID91409317
Molecular FormulaC27H21N7O
Molecular Weight459.51 g/mol
Exact Mass459.18
IUPAC Name3-methyl-5-[2-(5-methyl-2-pyrazin-2-ylphenyl)-1H-imidazol-5-yl]-1-pyridin-3-ylbenzimidazol-2-one
SMILESCc1ccc(-c2cnccn2)c(-c2ncc(-c3ccc4c(c3)n(C)c(=O)n4-c3cccnc3)[nH]2)c1
InChIInChI=1S/C27H21N7O/c1-17-5-7-20(23-15-29-10-11-30-23)21(12-17)26-31-16-22(32-26)18-6-8-24-25(13-18)33(2)27(35)34(24)19-4-3-9-28-14-19/h3-16H,1-2H3,(H,31,32)
InChIKeyRAQDWTVUCFJMDW-UHFFFAOYSA-N
XLogP4.55
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one
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CID 167485196
5-[5-(2-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one
CID 23581651
1,3-diethyl-5-[2-(5-methyl-2-piperidin-4-ylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
CID 90847767
5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one
CID 23581660
2-(2-fluoro-4-methylphenyl)pyrazine
CID 175164456
1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one
CID 23581461
1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
CID 23581439
1-methyl-3-phenyl-5-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one
CID 167485505
5-methyl-2-pyrazin-2-ylbenzoic acid
CID 81111608
3-[5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]pyridin-4-amine
CID 102970594
3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one
CID 23581491

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(5-methyl-2-pyrazin-2-ylphenyl)-1H-imidazol-5-yl]-1-pyridin-3-ylbenzimidazol-2-one?
The IUPAC name of 3-methyl-5-[2-(5-methyl-2-pyrazin-2-ylphenyl)-1H-imidazol-5-yl]-1-pyridin-3-ylbenzimidazol-2-one (CID 91409317) is 3-methyl-5-[2-(5-methyl-2-pyrazin-2-ylphenyl)-1H-imidazol-5-yl]-1-pyridin-3-ylbenzimidazol-2-one.
What is the SMILES notation for 3-methyl-5-[2-(5-methyl-2-pyrazin-2-ylphenyl)-1H-imidazol-5-yl]-1-pyridin-3-ylbenzimidazol-2-one?
The canonical SMILES for 3-methyl-5-[2-(5-methyl-2-pyrazin-2-ylphenyl)-1H-imidazol-5-yl]-1-pyridin-3-ylbenzimidazol-2-one is Cc1ccc(-c2cnccn2)c(-c2ncc(-c3ccc4c(c3)n(C)c(=O)n4-c3cccnc3)[nH]2)c1.
What is the InChIKey of 3-methyl-5-[2-(5-methyl-2-pyrazin-2-ylphenyl)-1H-imidazol-5-yl]-1-pyridin-3-ylbenzimidazol-2-one?
The InChIKey is RAQDWTVUCFJMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N7O/c1-17-5-7-20(23-15-29-10-11-30-23)21(12-17)26-31-16-22(32-26)18-6-8-24-25(13-18)33(2)27(35)34(24)19-4-3-9-28-14-19/h3-16H,1-2H3,(H,31,32).
What are the key properties of 3-methyl-5-[2-(5-methyl-2-pyrazin-2-ylphenyl)-1H-imidazol-5-yl]-1-pyridin-3-ylbenzimidazol-2-one?
3-methyl-5-[2-(5-methyl-2-pyrazin-2-ylphenyl)-1H-imidazol-5-yl]-1-pyridin-3-ylbenzimidazol-2-one has a molecular weight of 459.51 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(5-methyl-2-pyrazin-2-ylphenyl)-1H-imidazol-5-yl]-1-pyridin-3-ylbenzimidazol-2-one is sourced from PubChem (CID 91409317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).