(5-chloro-1-benzofuran-2-yl)-(3-cyclopropylimidazol-4-yl)methanol

C15H13ClN2O2 — CID 114724169

IUPAC(5-chloro-1-benzofuran-2-yl)-(3-cyclopropylimidazol-4-yl)methanol
SMILESOC(c1cc2cc(Cl)ccc2o1)c1cncn1C1CC1
InChIInChI=1S/C15H13ClN2O2/c16-10-1-4-13-9(5-10)6-14(20-13)15(19)12-7-17-8-18(12)11-2-3-11/h1,4-8,11,15,19H,2-3H2
InChIKeyFQAIQOJRTJNDHO-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.70
Rot. Bonds3

About (5-chloro-1-benzofuran-2-yl)-(3-cyclopropylimidazol-4-yl)methanol

(5-chloro-1-benzofuran-2-yl)-(3-cyclopropylimidazol-4-yl)methanol (PubChem CID 114724169) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-(3-cyclopropylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-(3-cyclopropylimidazol-4-yl)methanol
PubChem CID114724169
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name(5-chloro-1-benzofuran-2-yl)-(3-cyclopropylimidazol-4-yl)methanol
SMILESOC(c1cc2cc(Cl)ccc2o1)c1cncn1C1CC1
InChIInChI=1S/C15H13ClN2O2/c16-10-1-4-13-9(5-10)6-14(20-13)15(19)12-7-17-8-18(12)11-2-3-11/h1,4-8,11,15,19H,2-3H2
InChIKeyFQAIQOJRTJNDHO-UHFFFAOYSA-N
XLogP3.70
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-(3-cyclopropylimidazol-4-yl)methanol?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-(3-cyclopropylimidazol-4-yl)methanol (CID 114724169) is (5-chloro-1-benzofuran-2-yl)-(3-cyclopropylimidazol-4-yl)methanol.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-(3-cyclopropylimidazol-4-yl)methanol?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-(3-cyclopropylimidazol-4-yl)methanol is OC(c1cc2cc(Cl)ccc2o1)c1cncn1C1CC1.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-(3-cyclopropylimidazol-4-yl)methanol?
The InChIKey is FQAIQOJRTJNDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-10-1-4-13-9(5-10)6-14(20-13)15(19)12-7-17-8-18(12)11-2-3-11/h1,4-8,11,15,19H,2-3H2.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-(3-cyclopropylimidazol-4-yl)methanol?
(5-chloro-1-benzofuran-2-yl)-(3-cyclopropylimidazol-4-yl)methanol has a molecular weight of 288.73 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-(3-cyclopropylimidazol-4-yl)methanol is sourced from PubChem (CID 114724169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).