[1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol

C20H26N2O — CID 112787651

IUPAC[1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26N2O/c23-13-19-21-17-3-1-2-4-18(17)22(19)6-5-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-4,14-16,23H,5-13H2
InChIKeyIODXAROJXSGPRR-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.14
Rot. Bonds4

About [1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol

[1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol (PubChem CID 112787651) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is [1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol
PubChem CID112787651
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name[1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26N2O/c23-13-19-21-17-3-1-2-4-18(17)22(19)6-5-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-4,14-16,23H,5-13H2
InChIKeyIODXAROJXSGPRR-UHFFFAOYSA-N
XLogP4.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol
CID 962459
N-(1-adamantyl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetamide
CID 9110781
[1-(methoxymethyl)benzimidazol-2-yl]methanol
CID 1233949
[1-[2-(benzenesulfonyl)ethyl]benzimidazol-2-yl]methanol
CID 47023526
[1-(4-phenoxybutyl)benzimidazol-2-yl]methanol
CID 2945062
(1R)-1-(1-adamantyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
CID 7059784
[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methanol
CID 16995292
3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 103564206
[1-[(E)-3-cyclohexylprop-2-enyl]benzimidazol-2-yl]methanol
CID 134948990
N,N-di(butan-2-yl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 16995334
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17479592
1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 12515389

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol?
The IUPAC name of [1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol (CID 112787651) is [1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol is OCc1nc2ccccc2n1CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol?
The InChIKey is IODXAROJXSGPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c23-13-19-21-17-3-1-2-4-18(17)22(19)6-5-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-4,14-16,23H,5-13H2.
What are the key properties of [1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol?
[1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol has a molecular weight of 310.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 112787651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).