7-(3H-benzimidazol-5-yl)-3-[(E)-1-(5-methyl-1H-imidazol-4-yl)prop-1-en-2-yl]chromen-4-one

C23H18N4O2 — CID 123980640

IUPAC7-(3H-benzimidazol-5-yl)-3-[(E)-1-(5-methyl-1H-imidazol-4-yl)prop-1-en-2-yl]chromen-4-one
SMILESC/C(=C\c1nc[nH]c1C)c1coc2cc(-c3ccc4nc[nH]c4c3)ccc2c1=O
InChIInChI=1S/C23H18N4O2/c1-13(7-20-14(2)24-11-26-20)18-10-29-22-9-16(3-5-17(22)23(18)28)15-4-6-19-21(8-15)27-12-25-19/h3-12H,1-2H3,(H,24,26)(H,25,27)/b13-7+
InChIKeyJOXFWULHMUKSMP-NTUHNPAUSA-N
MW382.42 g/mol
LogP4.93
Rot. Bonds3

About 7-(3H-benzimidazol-5-yl)-3-[(E)-1-(5-methyl-1H-imidazol-4-yl)prop-1-en-2-yl]chromen-4-one

7-(3H-benzimidazol-5-yl)-3-[(E)-1-(5-methyl-1H-imidazol-4-yl)prop-1-en-2-yl]chromen-4-one (PubChem CID 123980640) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 7-(3H-benzimidazol-5-yl)-3-[(E)-1-(5-methyl-1H-imidazol-4-yl)prop-1-en-2-yl]chromen-4-one.

Molecular Properties

Compound Name7-(3H-benzimidazol-5-yl)-3-[(E)-1-(5-methyl-1H-imidazol-4-yl)prop-1-en-2-yl]chromen-4-one
PubChem CID123980640
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name7-(3H-benzimidazol-5-yl)-3-[(E)-1-(5-methyl-1H-imidazol-4-yl)prop-1-en-2-yl]chromen-4-one
SMILESC/C(=C\c1nc[nH]c1C)c1coc2cc(-c3ccc4nc[nH]c4c3)ccc2c1=O
InChIInChI=1S/C23H18N4O2/c1-13(7-20-14(2)24-11-26-20)18-10-29-22-9-16(3-5-17(22)23(18)28)15-4-6-19-21(8-15)27-12-25-19/h3-12H,1-2H3,(H,24,26)(H,25,27)/b13-7+
InChIKeyJOXFWULHMUKSMP-NTUHNPAUSA-N
XLogP4.93
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 16371646
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(3-methoxybiphenyl-4-yl)methanone
CID 44565606
2-(3H-benzimidazol-5-yl)-6,7,10-trimethoxybenzo[h]chromen-4-one
CID 141533892
US9073917, 2-inventive
CID 70645391
propan-2-yl 4-[5-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]furan-2-yl]benzoate
CID 5291127
ethyl 4-{5-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]furan-2-yl}benzoate
CID 5291169
N-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]-2-methoxybenzamide
CID 17409968
1-[3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-8-yl]ethanone
CID 46881426
[2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]amino]pyrimidin-5-yl]-(2-methoxyphenyl)methanone
CID 56680003
(2Z)-2-[[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
CID 155518636
N'-(3-Methoxybenzylidene)-1H-benzimidazole-6-carbohydrazide
CID 9557794
N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 16386397

Frequently Asked Questions

What is the IUPAC name of 7-(3H-benzimidazol-5-yl)-3-[(E)-1-(5-methyl-1H-imidazol-4-yl)prop-1-en-2-yl]chromen-4-one?
The IUPAC name of 7-(3H-benzimidazol-5-yl)-3-[(E)-1-(5-methyl-1H-imidazol-4-yl)prop-1-en-2-yl]chromen-4-one (CID 123980640) is 7-(3H-benzimidazol-5-yl)-3-[(E)-1-(5-methyl-1H-imidazol-4-yl)prop-1-en-2-yl]chromen-4-one.
What is the SMILES notation for 7-(3H-benzimidazol-5-yl)-3-[(E)-1-(5-methyl-1H-imidazol-4-yl)prop-1-en-2-yl]chromen-4-one?
The canonical SMILES for 7-(3H-benzimidazol-5-yl)-3-[(E)-1-(5-methyl-1H-imidazol-4-yl)prop-1-en-2-yl]chromen-4-one is C/C(=C\c1nc[nH]c1C)c1coc2cc(-c3ccc4nc[nH]c4c3)ccc2c1=O.
What is the InChIKey of 7-(3H-benzimidazol-5-yl)-3-[(E)-1-(5-methyl-1H-imidazol-4-yl)prop-1-en-2-yl]chromen-4-one?
The InChIKey is JOXFWULHMUKSMP-NTUHNPAUSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-13(7-20-14(2)24-11-26-20)18-10-29-22-9-16(3-5-17(22)23(18)28)15-4-6-19-21(8-15)27-12-25-19/h3-12H,1-2H3,(H,24,26)(H,25,27)/b13-7+.
What are the key properties of 7-(3H-benzimidazol-5-yl)-3-[(E)-1-(5-methyl-1H-imidazol-4-yl)prop-1-en-2-yl]chromen-4-one?
7-(3H-benzimidazol-5-yl)-3-[(E)-1-(5-methyl-1H-imidazol-4-yl)prop-1-en-2-yl]chromen-4-one has a molecular weight of 382.42 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3H-benzimidazol-5-yl)-3-[(E)-1-(5-methyl-1H-imidazol-4-yl)prop-1-en-2-yl]chromen-4-one is sourced from PubChem (CID 123980640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).