1-(1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol

C16H17N3O2 — CID 166632560

IUPAC1-(1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol
SMILESCOc1ccnc(CC(O)c2nc3ccccc3[nH]2)c1C
InChIInChI=1S/C16H17N3O2/c1-10-13(17-8-7-15(10)21-2)9-14(20)16-18-11-5-3-4-6-12(11)19-16/h3-8,14,20H,9H2,1-2H3,(H,18,19)
InChIKeyMEMRIQOUGJPNCU-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.55
Rot. Bonds4

About 1-(1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol

1-(1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol (PubChem CID 166632560) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol
PubChem CID166632560
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol
SMILESCOc1ccnc(CC(O)c2nc3ccccc3[nH]2)c1C
InChIInChI=1S/C16H17N3O2/c1-10-13(17-8-7-15(10)21-2)9-14(20)16-18-11-5-3-4-6-12(11)19-16/h3-8,14,20H,9H2,1-2H3,(H,18,19)
InChIKeyMEMRIQOUGJPNCU-UHFFFAOYSA-N
XLogP2.55
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol
CID 163442412
2-(3,4-dimethyl-2-pyridinyl)-1-(6-methyl-1H-benzimidazol-2-yl)ethanol
CID 163448451
1-(1H-benzimidazol-2-yl)-2-(4-ethoxy-3,5-dimethyl-2-pyridinyl)ethanol;carbonyl difluoride
CID 163694826
2-[[3-methyl-4-(2-methylpropoxy)-2-pyridinyl]methylsulfanyl]-1H-benzimidazole
CID 10853679
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
1-(1H-benzimidazol-2-yl)-2-(methylamino)ethanol
CID 82603982
2-[(3-methyl-4-prop-2-enoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 10733824
2-[[4-(3-iodopropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole
CID 89147872
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]-1H-benzimidazole
CID 169437833
1,3-dihydrobenzimidazole-2-thione;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]-1H-benzimidazole
CID 70296678
1H-benzimidazol-2-yl-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-phosphanylsulfanium
CID 163985176
bis(1H-benzimidazol-2-yl)methanol
CID 3747179

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol (CID 166632560) is 1-(1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol is COc1ccnc(CC(O)c2nc3ccccc3[nH]2)c1C.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol?
The InChIKey is MEMRIQOUGJPNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10-13(17-8-7-15(10)21-2)9-14(20)16-18-11-5-3-4-6-12(11)19-16/h3-8,14,20H,9H2,1-2H3,(H,18,19).
What are the key properties of 1-(1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol?
1-(1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol has a molecular weight of 283.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 166632560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).