(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol

C16H16N2O3 — CID 89433863

IUPAC(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2nc3ccc(OC)cc3[nH]2)cc1
InChIInChI=1S/C16H16N2O3/c1-20-11-5-3-10(4-6-11)15(19)16-17-13-8-7-12(21-2)9-14(13)18-16/h3-9,15,19H,1-2H3,(H,17,18)
InChIKeyJDNBVLFDOZUOFK-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.66
Rot. Bonds4

About (6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol

(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol (PubChem CID 89433863) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
PubChem CID89433863
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2nc3ccc(OC)cc3[nH]2)cc1
InChIInChI=1S/C16H16N2O3/c1-20-11-5-3-10(4-6-11)15(19)16-17-13-8-7-12(21-2)9-14(13)18-16/h3-9,15,19H,1-2H3,(H,17,18)
InChIKeyJDNBVLFDOZUOFK-UHFFFAOYSA-N
XLogP2.66
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,2-dihydroxy-2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazole-5-carbaldehyde
CID 21026309
6-methoxy-2-pentan-2-yl-1H-benzimidazole
CID 65017601
2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
CID 65220884
2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
CID 81078800
(6-bromo-1H-benzimidazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
CID 54673279
1-[2-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-3H-benzimidazol-5-yl]ethanone
CID 70648196
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175
1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol
CID 163442412
(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 67626319
(1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 63812775
2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol
CID 82336077
(R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol
CID 125481020

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol?
The IUPAC name of (6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol (CID 89433863) is (6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol.
What is the SMILES notation for (6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol?
The canonical SMILES for (6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol is COc1ccc(C(O)c2nc3ccc(OC)cc3[nH]2)cc1.
What is the InChIKey of (6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol?
The InChIKey is JDNBVLFDOZUOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-11-5-3-10(4-6-11)15(19)16-17-13-8-7-12(21-2)9-14(13)18-16/h3-9,15,19H,1-2H3,(H,17,18).
What are the key properties of (6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol?
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol has a molecular weight of 284.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol is sourced from PubChem (CID 89433863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).