1-(6-methoxypyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanol

C15H16N4O2 — CID 102950299

IUPAC1-(6-methoxypyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCOc1cc(C(O)Cc2nc3ccccc3n2C)ncn1
InChIInChI=1S/C15H16N4O2/c1-19-12-6-4-3-5-10(12)18-14(19)8-13(20)11-7-15(21-2)17-9-16-11/h3-7,9,13,20H,8H2,1-2H3
InChIKeyDHOBOPCIIRVBJC-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.65
Rot. Bonds4

About 1-(6-methoxypyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanol

1-(6-methoxypyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanol (PubChem CID 102950299) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
PubChem CID102950299
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-(6-methoxypyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCOc1cc(C(O)Cc2nc3ccccc3n2C)ncn1
InChIInChI=1S/C15H16N4O2/c1-19-12-6-4-3-5-10(12)18-14(19)8-13(20)11-7-15(21-2)17-9-16-11/h3-7,9,13,20H,8H2,1-2H3
InChIKeyDHOBOPCIIRVBJC-UHFFFAOYSA-N
XLogP1.65
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-(2,3-dimethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 680857
(1R)-1-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 763733
1-(3-methoxy-4-pyridinyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 105066358
1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79754597
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
3-ethyl-3-methoxy-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116760727
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
(1R)-1-[4-(dimethylamino)phenyl]-2-(1-methylbenzimidazol-2-yl)ethanol
CID 702567
1-(3-bromo-4-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 115818511
1-(4-chloro-3-methylphenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 115818504

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanol (CID 102950299) is 1-(6-methoxypyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanol is COc1cc(C(O)Cc2nc3ccccc3n2C)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The InChIKey is DHOBOPCIIRVBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-19-12-6-4-3-5-10(12)18-14(19)8-13(20)11-7-15(21-2)17-9-16-11/h3-7,9,13,20H,8H2,1-2H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanol?
1-(6-methoxypyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanol has a molecular weight of 284.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 102950299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).