(4-ethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol

C19H22N2O2 — CID 628205

IUPAC(4-ethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
SMILESCCCn1c(C(O)c2ccc(OCC)cc2)nc2ccccc21
InChIInChI=1S/C19H22N2O2/c1-3-13-21-17-8-6-5-7-16(17)20-19(21)18(22)14-9-11-15(12-10-14)23-4-2/h5-12,18,22H,3-4,13H2,1-2H3
InChIKeyFPRFPKKBBMYQFO-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.93
Rot. Bonds6

About (4-ethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol

(4-ethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol (PubChem CID 628205) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
PubChem CID628205
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(4-ethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
SMILESCCCn1c(C(O)c2ccc(OCC)cc2)nc2ccccc21
InChIInChI=1S/C19H22N2O2/c1-3-13-21-17-8-6-5-7-16(17)20-19(21)18(22)14-9-11-15(12-10-14)23-4-2/h5-12,18,22H,3-4,13H2,1-2H3
InChIKeyFPRFPKKBBMYQFO-UHFFFAOYSA-N
XLogP3.93
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The IUPAC name of (4-ethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol (CID 628205) is (4-ethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol.
What is the SMILES notation for (4-ethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The canonical SMILES for (4-ethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol is CCCn1c(C(O)c2ccc(OCC)cc2)nc2ccccc21.
What is the InChIKey of (4-ethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The InChIKey is FPRFPKKBBMYQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-13-21-17-8-6-5-7-16(17)20-19(21)18(22)14-9-11-15(12-10-14)23-4-2/h5-12,18,22H,3-4,13H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
(4-ethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol has a molecular weight of 310.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 628205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).