(3-cyclopropylimidazol-4-yl)-(7-methyl-1-benzofuran-2-yl)methanol

C16H16N2O2 — CID 114724166

IUPAC(3-cyclopropylimidazol-4-yl)-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cccc2cc(C(O)c3cncn3C3CC3)oc12
InChIInChI=1S/C16H16N2O2/c1-10-3-2-4-11-7-14(20-16(10)11)15(19)13-8-17-9-18(13)12-5-6-12/h2-4,7-9,12,15,19H,5-6H2,1H3
InChIKeyKQZJFYXJLBSNPP-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.35
Rot. Bonds3

About (3-cyclopropylimidazol-4-yl)-(7-methyl-1-benzofuran-2-yl)methanol

(3-cyclopropylimidazol-4-yl)-(7-methyl-1-benzofuran-2-yl)methanol (PubChem CID 114724166) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (3-cyclopropylimidazol-4-yl)-(7-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(3-cyclopropylimidazol-4-yl)-(7-methyl-1-benzofuran-2-yl)methanol
PubChem CID114724166
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(3-cyclopropylimidazol-4-yl)-(7-methyl-1-benzofuran-2-yl)methanol
SMILESCc1cccc2cc(C(O)c3cncn3C3CC3)oc12
InChIInChI=1S/C16H16N2O2/c1-10-3-2-4-11-7-14(20-16(10)11)15(19)13-8-17-9-18(13)12-5-6-12/h2-4,7-9,12,15,19H,5-6H2,1H3
InChIKeyKQZJFYXJLBSNPP-UHFFFAOYSA-N
XLogP3.35
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(3-cyclopropylimidazol-4-yl)methanol
CID 114724169
(3-ethyl-1-methylpyrazol-5-yl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 105129301
(3-cyclopropylimidazol-4-yl)-(5-methyl-3-pyridinyl)methanol
CID 113297006
(3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114724253
(3-fluoro-4-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114727130
1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723563
(3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723638
(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115836437
(3,4-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723344
1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol
CID 66142465
(7-methyl-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanol
CID 105129303
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723415

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylimidazol-4-yl)-(7-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (3-cyclopropylimidazol-4-yl)-(7-methyl-1-benzofuran-2-yl)methanol (CID 114724166) is (3-cyclopropylimidazol-4-yl)-(7-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (3-cyclopropylimidazol-4-yl)-(7-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (3-cyclopropylimidazol-4-yl)-(7-methyl-1-benzofuran-2-yl)methanol is Cc1cccc2cc(C(O)c3cncn3C3CC3)oc12.
What is the InChIKey of (3-cyclopropylimidazol-4-yl)-(7-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is KQZJFYXJLBSNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-3-2-4-11-7-14(20-16(10)11)15(19)13-8-17-9-18(13)12-5-6-12/h2-4,7-9,12,15,19H,5-6H2,1H3.
What are the key properties of (3-cyclopropylimidazol-4-yl)-(7-methyl-1-benzofuran-2-yl)methanol?
(3-cyclopropylimidazol-4-yl)-(7-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 268.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylimidazol-4-yl)-(7-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114724166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).