(2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol

C17H18N2O3 — CID 2870450

IUPAC(2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
SMILESCOc1cccc(C(O)c2nc3ccccc3n2C)c1OC
InChIInChI=1S/C17H18N2O3/c1-19-13-9-5-4-8-12(13)18-17(19)15(20)11-7-6-10-14(21-2)16(11)22-3/h4-10,15,20H,1-3H3
InChIKeyCXDMETCDGABSDK-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.67
Rot. Bonds4

About (2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol

(2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol (PubChem CID 2870450) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
PubChem CID2870450
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
SMILESCOc1cccc(C(O)c2nc3ccccc3n2C)c1OC
InChIInChI=1S/C17H18N2O3/c1-19-13-9-5-4-8-12(13)18-17(19)15(20)11-7-6-10-14(21-2)16(11)22-3/h4-10,15,20H,1-3H3
InChIKeyCXDMETCDGABSDK-UHFFFAOYSA-N
XLogP2.67
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylbenzimidazol-2-yl)-naphthalen-1-ylmethanol
CID 2870493
(R)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
CID 1349779
(S)-(1-benzylbenzimidazol-2-yl)-(2,3-dimethoxyphenyl)methanol
CID 1349776
(1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 680857
(2-methoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 3786297
(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
CID 2870378
(1-methylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 2891070
(R)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 797343
(S)-(4-ethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol
CID 797340
(2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634621
(2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63961353
N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 43823447

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol?
The IUPAC name of (2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol (CID 2870450) is (2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol?
The canonical SMILES for (2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol is COc1cccc(C(O)c2nc3ccccc3n2C)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol?
The InChIKey is CXDMETCDGABSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-19-13-9-5-4-8-12(13)18-17(19)15(20)11-7-6-10-14(21-2)16(11)22-3/h4-10,15,20H,1-3H3.
What are the key properties of (2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol?
(2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol has a molecular weight of 298.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(1-methylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 2870450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).