(2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol

C19H22N2O3 — CID 2858452

IUPAC(2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol
SMILESCOc1cccc(C(O)c2nc3ccccc3n2C(C)C)c1OC
InChIInChI=1S/C19H22N2O3/c1-12(2)21-15-10-6-5-9-14(15)20-19(21)17(22)13-8-7-11-16(23-3)18(13)24-4/h5-12,17,22H,1-4H3
InChIKeyBPWOPLTZPNDAOR-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.72
Rot. Bonds5

About (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol

(2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol (PubChem CID 2858452) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol
PubChem CID2858452
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol
SMILESCOc1cccc(C(O)c2nc3ccccc3n2C(C)C)c1OC
InChIInChI=1S/C19H22N2O3/c1-12(2)21-15-10-6-5-9-14(15)20-19(21)17(22)13-8-7-11-16(23-3)18(13)24-4/h5-12,17,22H,1-4H3
InChIKeyBPWOPLTZPNDAOR-UHFFFAOYSA-N
XLogP3.72
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol?
The IUPAC name of (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol (CID 2858452) is (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol?
The canonical SMILES for (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol is COc1cccc(C(O)c2nc3ccccc3n2C(C)C)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol?
The InChIKey is BPWOPLTZPNDAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12(2)21-15-10-6-5-9-14(15)20-19(21)17(22)13-8-7-11-16(23-3)18(13)24-4/h5-12,17,22H,1-4H3.
What are the key properties of (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol?
(2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol has a molecular weight of 326.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(1-propan-2-ylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 2858452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).