(7-methoxy-1H-benzimidazol-4-yl)methanol

C9H10N2O2 — CID 130983658

IUPAC(7-methoxy-1H-benzimidazol-4-yl)methanol
SMILESCOc1ccc(CO)c2nc[nH]c12
InChIInChI=1S/C9H10N2O2/c1-13-7-3-2-6(4-12)8-9(7)11-5-10-8/h2-3,5,12H,4H2,1H3,(H,10,11)
InChIKeyRQGHWGUNGVWIHJ-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.06
Rot. Bonds2

About (7-methoxy-1H-benzimidazol-4-yl)methanol

(7-methoxy-1H-benzimidazol-4-yl)methanol (PubChem CID 130983658) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is (7-methoxy-1H-benzimidazol-4-yl)methanol.

Molecular Properties

Compound Name(7-methoxy-1H-benzimidazol-4-yl)methanol
PubChem CID130983658
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name(7-methoxy-1H-benzimidazol-4-yl)methanol
SMILESCOc1ccc(CO)c2nc[nH]c12
InChIInChI=1S/C9H10N2O2/c1-13-7-3-2-6(4-12)8-9(7)11-5-10-8/h2-3,5,12H,4H2,1H3,(H,10,11)
InChIKeyRQGHWGUNGVWIHJ-UHFFFAOYSA-N
XLogP1.06
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid
CID 131407690
methyl 7-methoxy-1H-benzimidazole-4-carboxylate
CID 22663455
4-(2,5-dihydrofuran-3-yl)-7-methoxy-1H-benzimidazole
CID 175786205
4-(1H-indazol-4-yl)-7-methoxy-1H-benzimidazole
CID 175786149
(8-methoxyquinolin-4-yl)methanol
CID 86714571
2-ethyl-4,7-dimethoxy-1H-benzimidazole
CID 67341831
4,5-dimethoxy-1H-benzimidazole
CID 54423692
(2-ethyl-4,5-dimethoxyphenyl)methanol
CID 14094580
4-fluoro-5-methoxy-1H-benzimidazole
CID 130850479
4-(2,3-dihydro-1H-indol-4-yl)-7-methoxy-1H-benzimidazole
CID 175786397
(2-amino-3,4-dimethoxyphenyl)methanol
CID 139735105
3-fluoro-4-methoxy-N-(7-methoxy-1H-benzimidazol-4-yl)benzenesulfonamide
CID 53349725

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1H-benzimidazol-4-yl)methanol?
The IUPAC name of (7-methoxy-1H-benzimidazol-4-yl)methanol (CID 130983658) is (7-methoxy-1H-benzimidazol-4-yl)methanol.
What is the SMILES notation for (7-methoxy-1H-benzimidazol-4-yl)methanol?
The canonical SMILES for (7-methoxy-1H-benzimidazol-4-yl)methanol is COc1ccc(CO)c2nc[nH]c12.
What is the InChIKey of (7-methoxy-1H-benzimidazol-4-yl)methanol?
The InChIKey is RQGHWGUNGVWIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-13-7-3-2-6(4-12)8-9(7)11-5-10-8/h2-3,5,12H,4H2,1H3,(H,10,11).
What are the key properties of (7-methoxy-1H-benzimidazol-4-yl)methanol?
(7-methoxy-1H-benzimidazol-4-yl)methanol has a molecular weight of 178.19 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1H-benzimidazol-4-yl)methanol is sourced from PubChem (CID 130983658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).