6-methoxy-2-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropyl]-1H-benzimidazole

C19H18N2O4 — CID 155814611

IUPAC6-methoxy-2-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropyl]-1H-benzimidazole
SMILESCOc1ccc2nc([C@H]3C[C@H]3c3cc(OC)c4c(c3)OCO4)[nH]c2c1
InChIInChI=1S/C19H18N2O4/c1-22-11-3-4-14-15(7-11)21-19(20-14)13-8-12(13)10-5-16(23-2)18-17(6-10)24-9-25-18/h3-7,12-13H,8-9H2,1-2H3,(H,20,21)/t12-,13-/m0/s1
InChIKeyUAEBAXZZWLYBEY-STQMWFEESA-N
MW338.36 g/mol
LogP3.58
Rot. Bonds4

About 6-methoxy-2-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropyl]-1H-benzimidazole

6-methoxy-2-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropyl]-1H-benzimidazole (PubChem CID 155814611) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 6-methoxy-2-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropyl]-1H-benzimidazole
PubChem CID155814611
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name6-methoxy-2-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropyl]-1H-benzimidazole
SMILESCOc1ccc2nc([C@H]3C[C@H]3c3cc(OC)c4c(c3)OCO4)[nH]c2c1
InChIInChI=1S/C19H18N2O4/c1-22-11-3-4-14-15(7-11)21-19(20-14)13-8-12(13)10-5-16(23-2)18-17(6-10)24-9-25-18/h3-7,12-13H,8-9H2,1-2H3,(H,20,21)/t12-,13-/m0/s1
InChIKeyUAEBAXZZWLYBEY-STQMWFEESA-N
XLogP3.58
TPSA65.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-2-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropyl]-1H-benzimidazole with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole
CID 65018013
2-[(3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-6-methoxy-1H-benzimidazole
CID 170441730
2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole
CID 146024410
6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857632
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole
CID 170441623
7-methoxy-9-(7-methoxy-1,3-benzodioxol-5-yl)-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
CID 46949029
(7R)-7-(7-methoxy-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-b]pyridine-2,5-dione
CID 95167144
4-(7-methoxy-1,3-benzodioxol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135680693
[(1R,3S,3aS,6aR)-3-(7-methoxy-1,3-benzodioxol-5-yl)-5-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-1-yl]methanol
CID 50973682
(9S)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydro-6H-[1,2,5]thiadiazolo[3,4-f]quinolin-7-one
CID 136811438
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 89433863

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropyl]-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropyl]-1H-benzimidazole (CID 155814611) is 6-methoxy-2-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropyl]-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropyl]-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropyl]-1H-benzimidazole is COc1ccc2nc([C@H]3C[C@H]3c3cc(OC)c4c(c3)OCO4)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropyl]-1H-benzimidazole?
The InChIKey is UAEBAXZZWLYBEY-STQMWFEESA-N. The full InChI is InChI=1S/C19H18N2O4/c1-22-11-3-4-14-15(7-11)21-19(20-14)13-8-12(13)10-5-16(23-2)18-17(6-10)24-9-25-18/h3-7,12-13H,8-9H2,1-2H3,(H,20,21)/t12-,13-/m0/s1.
What are the key properties of 6-methoxy-2-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropyl]-1H-benzimidazole?
6-methoxy-2-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropyl]-1H-benzimidazole has a molecular weight of 338.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropyl]-1H-benzimidazole is sourced from PubChem (CID 155814611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).