(3-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol

C18H20N2O2 — CID 2881131

IUPAC(3-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
SMILESCCCn1c(C(O)c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-3-11-20-16-10-5-4-9-15(16)19-18(20)17(21)13-7-6-8-14(12-13)22-2/h4-10,12,17,21H,3,11H2,1-2H3
InChIKeyYLLYEDXFZYPVQE-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.54
Rot. Bonds5

About (3-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol

(3-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol (PubChem CID 2881131) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(3-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
PubChem CID2881131
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(3-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
SMILESCCCn1c(C(O)c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C18H20N2O2/c1-3-11-20-16-10-5-4-9-15(16)19-18(20)17(21)13-7-6-8-14(12-13)22-2/h4-10,12,17,21H,3,11H2,1-2H3
InChIKeyYLLYEDXFZYPVQE-UHFFFAOYSA-N
XLogP3.54
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The IUPAC name of (3-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol (CID 2881131) is (3-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol.
What is the SMILES notation for (3-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The canonical SMILES for (3-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol is CCCn1c(C(O)c2cccc(OC)c2)nc2ccccc21.
What is the InChIKey of (3-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
The InChIKey is YLLYEDXFZYPVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-11-20-16-10-5-4-9-15(16)19-18(20)17(21)13-7-6-8-14(12-13)22-2/h4-10,12,17,21H,3,11H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol?
(3-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol has a molecular weight of 296.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 2881131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).