4-(2,5-dihydrofuran-3-yl)-7-methoxy-1H-benzimidazole

C12H12N2O2 — CID 175786205

IUPAC4-(2,5-dihydrofuran-3-yl)-7-methoxy-1H-benzimidazole
SMILESCOc1ccc(C2=CCOC2)c2nc[nH]c12
InChIInChI=1S/C12H12N2O2/c1-15-10-3-2-9(8-4-5-16-6-8)11-12(10)14-7-13-11/h2-4,7H,5-6H2,1H3,(H,13,14)
InChIKeyZSXYFKVBULSKIU-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.99
Rot. Bonds2

About 4-(2,5-dihydrofuran-3-yl)-7-methoxy-1H-benzimidazole

4-(2,5-dihydrofuran-3-yl)-7-methoxy-1H-benzimidazole (PubChem CID 175786205) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(2,5-dihydrofuran-3-yl)-7-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name4-(2,5-dihydrofuran-3-yl)-7-methoxy-1H-benzimidazole
PubChem CID175786205
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-(2,5-dihydrofuran-3-yl)-7-methoxy-1H-benzimidazole
SMILESCOc1ccc(C2=CCOC2)c2nc[nH]c12
InChIInChI=1S/C12H12N2O2/c1-15-10-3-2-9(8-4-5-16-6-8)11-12(10)14-7-13-11/h2-4,7H,5-6H2,1H3,(H,13,14)
InChIKeyZSXYFKVBULSKIU-UHFFFAOYSA-N
XLogP1.99
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-indazol-4-yl)-7-methoxy-1H-benzimidazole
CID 175786149
(7-methoxy-1H-benzimidazol-4-yl)methanol
CID 130983658
4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole
CID 175786397
2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid
CID 131407690
methyl 7-methoxy-1H-benzimidazole-4-carboxylate
CID 22663455
N-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 154589244
4,5-dimethoxy-1H-benzimidazole
CID 54423692
4-fluoro-5-methoxy-1H-benzimidazole
CID 130850479
8-fluoro-7-methoxy-3H-quinazolin-4-one
CID 136983588
3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide
CID 53349725
8-chloro-7-methoxy-3H-quinazolin-4-one;hydrochloride
CID 174823492
2-(7-methoxy-1H-benzimidazol-4-yl)-3-(4-methoxyphenyl)propanoic acid
CID 67628147

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydrofuran-3-yl)-7-methoxy-1H-benzimidazole?
The IUPAC name of 4-(2,5-dihydrofuran-3-yl)-7-methoxy-1H-benzimidazole (CID 175786205) is 4-(2,5-dihydrofuran-3-yl)-7-methoxy-1H-benzimidazole.
What is the SMILES notation for 4-(2,5-dihydrofuran-3-yl)-7-methoxy-1H-benzimidazole?
The canonical SMILES for 4-(2,5-dihydrofuran-3-yl)-7-methoxy-1H-benzimidazole is COc1ccc(C2=CCOC2)c2nc[nH]c12.
What is the InChIKey of 4-(2,5-dihydrofuran-3-yl)-7-methoxy-1H-benzimidazole?
The InChIKey is ZSXYFKVBULSKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-15-10-3-2-9(8-4-5-16-6-8)11-12(10)14-7-13-11/h2-4,7H,5-6H2,1H3,(H,13,14).
What are the key properties of 4-(2,5-dihydrofuran-3-yl)-7-methoxy-1H-benzimidazole?
4-(2,5-dihydrofuran-3-yl)-7-methoxy-1H-benzimidazole has a molecular weight of 216.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydrofuran-3-yl)-7-methoxy-1H-benzimidazole is sourced from PubChem (CID 175786205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).