3-(2-methyl-3H-benzimidazol-5-yl)-7-(2-methyl-1H-imidazol-5-yl)chromen-4-one

C21H16N4O2 — CID 123582296

IUPAC3-(2-methyl-3H-benzimidazol-5-yl)-7-(2-methyl-1H-imidazol-5-yl)chromen-4-one
SMILESCc1ncc(-c2ccc3c(=O)c(-c4ccc5nc(C)[nH]c5c4)coc3c2)[nH]1
InChIInChI=1S/C21H16N4O2/c1-11-22-9-19(23-11)14-3-5-15-20(8-14)27-10-16(21(15)26)13-4-6-17-18(7-13)25-12(2)24-17/h3-10H,1-2H3,(H,22,23)(H,24,25)
InChIKeyVMZRJCQCPRADRO-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.34
Rot. Bonds2

About 3-(2-methyl-3H-benzimidazol-5-yl)-7-(2-methyl-1H-imidazol-5-yl)chromen-4-one

3-(2-methyl-3H-benzimidazol-5-yl)-7-(2-methyl-1H-imidazol-5-yl)chromen-4-one (PubChem CID 123582296) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-(2-methyl-3H-benzimidazol-5-yl)-7-(2-methyl-1H-imidazol-5-yl)chromen-4-one.

Molecular Properties

Compound Name3-(2-methyl-3H-benzimidazol-5-yl)-7-(2-methyl-1H-imidazol-5-yl)chromen-4-one
PubChem CID123582296
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name3-(2-methyl-3H-benzimidazol-5-yl)-7-(2-methyl-1H-imidazol-5-yl)chromen-4-one
SMILESCc1ncc(-c2ccc3c(=O)c(-c4ccc5nc(C)[nH]c5c4)coc3c2)[nH]1
InChIInChI=1S/C21H16N4O2/c1-11-22-9-19(23-11)14-3-5-15-20(8-14)27-10-16(21(15)26)13-4-6-17-18(7-13)25-12(2)24-17/h3-10H,1-2H3,(H,22,23)(H,24,25)
InChIKeyVMZRJCQCPRADRO-UHFFFAOYSA-N
XLogP4.34
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]hydrazine
CID 116884165
2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid
CID 116878629
3-methyl-6-(2-methyl-1H-imidazol-5-yl)-1,3-benzoxazol-2-one
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2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol
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CID 167066942
2-methyl-6-naphthalen-1-yl-1H-benzimidazole
CID 46951477
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
2-methyl-8-[4-(2-methyl-1H-imidazol-5-yl)phenyl]-3H-[1]benzothiolo[2,3-e]benzimidazole
CID 118569086
1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone
CID 39805487
4-[7-(2-methyl-1H-imidazol-5-yl)quinoxalin-2-yl]morpholine
CID 91385762
azane;2-methyl-5-(4-methylphenyl)-1H-imidazole
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2-methyl-5-[4-(4-methylphenyl)phenyl]-1H-imidazole
CID 118357531

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3H-benzimidazol-5-yl)-7-(2-methyl-1H-imidazol-5-yl)chromen-4-one?
The IUPAC name of 3-(2-methyl-3H-benzimidazol-5-yl)-7-(2-methyl-1H-imidazol-5-yl)chromen-4-one (CID 123582296) is 3-(2-methyl-3H-benzimidazol-5-yl)-7-(2-methyl-1H-imidazol-5-yl)chromen-4-one.
What is the SMILES notation for 3-(2-methyl-3H-benzimidazol-5-yl)-7-(2-methyl-1H-imidazol-5-yl)chromen-4-one?
The canonical SMILES for 3-(2-methyl-3H-benzimidazol-5-yl)-7-(2-methyl-1H-imidazol-5-yl)chromen-4-one is Cc1ncc(-c2ccc3c(=O)c(-c4ccc5nc(C)[nH]c5c4)coc3c2)[nH]1.
What is the InChIKey of 3-(2-methyl-3H-benzimidazol-5-yl)-7-(2-methyl-1H-imidazol-5-yl)chromen-4-one?
The InChIKey is VMZRJCQCPRADRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-11-22-9-19(23-11)14-3-5-15-20(8-14)27-10-16(21(15)26)13-4-6-17-18(7-13)25-12(2)24-17/h3-10H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 3-(2-methyl-3H-benzimidazol-5-yl)-7-(2-methyl-1H-imidazol-5-yl)chromen-4-one?
3-(2-methyl-3H-benzimidazol-5-yl)-7-(2-methyl-1H-imidazol-5-yl)chromen-4-one has a molecular weight of 356.39 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3H-benzimidazol-5-yl)-7-(2-methyl-1H-imidazol-5-yl)chromen-4-one is sourced from PubChem (CID 123582296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).