(4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol

C18H20N2O2 — CID 590962

IUPAC(4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol
SMILESCOc1ccc(C(O)c2nc3ccccc3n2C(C)C)cc1
InChIInChI=1S/C18H20N2O2/c1-12(2)20-16-7-5-4-6-15(16)19-18(20)17(21)13-8-10-14(22-3)11-9-13/h4-12,17,21H,1-3H3
InChIKeyFHDVYOFCQYSTMR-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.71
Rot. Bonds4

About (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol

(4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol (PubChem CID 590962) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol
PubChem CID590962
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol
SMILESCOc1ccc(C(O)c2nc3ccccc3n2C(C)C)cc1
InChIInChI=1S/C18H20N2O2/c1-12(2)20-16-7-5-4-6-15(16)19-18(20)17(21)13-8-10-14(22-3)11-9-13/h4-12,17,21H,1-3H3
InChIKeyFHDVYOFCQYSTMR-UHFFFAOYSA-N
XLogP3.71
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol?
The IUPAC name of (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol (CID 590962) is (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol.
What is the SMILES notation for (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol?
The canonical SMILES for (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol is COc1ccc(C(O)c2nc3ccccc3n2C(C)C)cc1.
What is the InChIKey of (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol?
The InChIKey is FHDVYOFCQYSTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12(2)20-16-7-5-4-6-15(16)19-18(20)17(21)13-8-10-14(22-3)11-9-13/h4-12,17,21H,1-3H3.
What are the key properties of (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol?
(4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol has a molecular weight of 296.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 590962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).