7-hydroxy-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one

C18H14N2O4S — CID 7152429

IUPAC7-hydroxy-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one
SMILESCOc1ccc2nc(SCc3cc(=O)oc4cc(O)ccc34)[nH]c2c1
InChIInChI=1S/C18H14N2O4S/c1-23-12-3-5-14-15(8-12)20-18(19-14)25-9-10-6-17(22)24-16-7-11(21)2-4-13(10)16/h2-8,21H,9H2,1H3,(H,19,20)
InChIKeyIIYINTLCJDMBNQ-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.68
Rot. Bonds4

About 7-hydroxy-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one

7-hydroxy-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one (PubChem CID 7152429) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is 7-hydroxy-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one
PubChem CID7152429
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Name7-hydroxy-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one
SMILESCOc1ccc2nc(SCc3cc(=O)oc4cc(O)ccc34)[nH]c2c1
InChIInChI=1S/C18H14N2O4S/c1-23-12-3-5-14-15(8-12)20-18(19-14)25-9-10-6-17(22)24-16-7-11(21)2-4-13(10)16/h2-8,21H,9H2,1H3,(H,19,20)
InChIKeyIIYINTLCJDMBNQ-UHFFFAOYSA-N
XLogP3.68
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 7-hydroxy-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid
CID 63639169
6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752045
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
CID 134065477
4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-7-methoxychromen-2-one
CID 27736334
1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-one;hydrochloride
CID 44889304
4-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-7,8-dimethylchromen-2-one
CID 4574638
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]-7-methoxychromen-2-one
CID 8875438
methyl 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135600161
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole
CID 18099720
4-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-7-hydroxychromen-2-one
CID 46793844
3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methylpropan-1-amine
CID 61386487

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one?
The IUPAC name of 7-hydroxy-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one (CID 7152429) is 7-hydroxy-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one.
What is the SMILES notation for 7-hydroxy-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one?
The canonical SMILES for 7-hydroxy-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one is COc1ccc2nc(SCc3cc(=O)oc4cc(O)ccc34)[nH]c2c1.
What is the InChIKey of 7-hydroxy-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one?
The InChIKey is IIYINTLCJDMBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S/c1-23-12-3-5-14-15(8-12)20-18(19-14)25-9-10-6-17(22)24-16-7-11(21)2-4-13(10)16/h2-8,21H,9H2,1H3,(H,19,20).
What are the key properties of 7-hydroxy-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one?
7-hydroxy-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one has a molecular weight of 354.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]chromen-2-one is sourced from PubChem (CID 7152429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).