2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol

C24H32N2O2 — CID 2859643

IUPAC2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol
SMILESCCn1c(C(O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2ccccc21
InChIInChI=1S/C24H32N2O2/c1-8-26-19-12-10-9-11-18(19)25-22(26)20(27)15-13-16(23(2,3)4)21(28)17(14-15)24(5,6)7/h9-14,20,27-28H,8H2,1-7H3
InChIKeyRQQRFZXFDYFUBN-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.44
Rot. Bonds3

About 2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol

2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol (PubChem CID 2859643) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol
PubChem CID2859643
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol
SMILESCCn1c(C(O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2ccccc21
InChIInChI=1S/C24H32N2O2/c1-8-26-19-12-10-9-11-18(19)25-22(26)20(27)15-13-16(23(2,3)4)21(28)17(14-15)24(5,6)7/h9-14,20,27-28H,8H2,1-7H3
InChIKeyRQQRFZXFDYFUBN-UHFFFAOYSA-N
XLogP5.44
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-(1-ethylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 914008
(S)-(1-ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol
CID 762121
(R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 738052
(R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 762129
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 6998450
(R)-[1-(2-methoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 40699008
(S)-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 972889
[(1-ethylbenzimidazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-trimethyl-λ4-sulfane
CID 89375402
1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876
[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]-phenylmethanol
CID 16995174
(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 867678

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol (CID 2859643) is 2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol is CCn1c(C(O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2ccccc21.
What is the InChIKey of 2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol?
The InChIKey is RQQRFZXFDYFUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-8-26-19-12-10-9-11-18(19)25-22(26)20(27)15-13-16(23(2,3)4)21(28)17(14-15)24(5,6)7/h9-14,20,27-28H,8H2,1-7H3.
What are the key properties of 2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol?
2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol has a molecular weight of 380.53 g/mol, XLogP of 5.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol is sourced from PubChem (CID 2859643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).