1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol

C16H20N4O — CID 105111437

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCCn1nc(C)cc1C(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C16H20N4O/c1-4-20-14(9-11(2)18-20)15(21)10-16-17-12-7-5-6-8-13(12)19(16)3/h5-9,15,21H,4,10H2,1-3H3
InChIKeyDPDIIEKLHVNFAJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.37
Rot. Bonds4

About 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol

1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol (PubChem CID 105111437) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
PubChem CID105111437
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
SMILESCCn1nc(C)cc1C(O)Cc1nc2ccccc2n1C
InChIInChI=1S/C16H20N4O/c1-4-20-14(9-11(2)18-20)15(21)10-16-17-12-7-5-6-8-13(12)19(16)3/h5-9,15,21H,4,10H2,1-3H3
InChIKeyDPDIIEKLHVNFAJ-UHFFFAOYSA-N
XLogP2.37
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79754597
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
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
1,1-diethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753376
2-(3,4-difluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105121806
2-(3,5-dimethylphenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105079596
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109691
1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 102829570
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CID 105122915

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol (CID 105111437) is 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol is CCn1nc(C)cc1C(O)Cc1nc2ccccc2n1C.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol?
The InChIKey is DPDIIEKLHVNFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-20-14(9-11(2)18-20)15(21)10-16-17-12-7-5-6-8-13(12)19(16)3/h5-9,15,21H,4,10H2,1-3H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol?
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol has a molecular weight of 284.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanol is sourced from PubChem (CID 105111437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).