1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol

C16H17N3O2 — CID 105066358

IUPAC1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCOc1cnccc1C(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C16H17N3O2/c1-19-13-6-4-3-5-12(13)18-16(19)9-14(20)11-7-8-17-10-15(11)21-2/h3-8,10,14,20H,9H2,1-2H3
InChIKeySBLDEEHFQOOFHP-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.25
Rot. Bonds4

About 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol

1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol (PubChem CID 105066358) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol
PubChem CID105066358
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCOc1cnccc1C(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C16H17N3O2/c1-19-13-6-4-3-5-12(13)18-16(19)9-14(20)11-7-8-17-10-15(11)21-2/h3-8,10,14,20H,9H2,1-2H3
InChIKeySBLDEEHFQOOFHP-UHFFFAOYSA-N
XLogP2.25
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 105065815
(1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 680857
1-(6-methoxypyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 102950299
1-(2-amino-5-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 82682714
(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 763733
2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066362
2-(4-ethylphenyl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066190
N-methyl-2-(1-methylbenzimidazol-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878188
1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79756071
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol
CID 79755905
1-(furan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79753671

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The IUPAC name of 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol (CID 105066358) is 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol is COc1cnccc1C(O)Cc1nc2ccccc2n1C.
What is the InChIKey of 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The InChIKey is SBLDEEHFQOOFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19-13-6-4-3-5-12(13)18-16(19)9-14(20)11-7-8-17-10-15(11)21-2/h3-8,10,14,20H,9H2,1-2H3.
What are the key properties of 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol?
1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol has a molecular weight of 283.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 105066358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).