3-[5-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-1H-imidazol-4-yl]phenol

C22H27N3O — CID 25001430

IUPAC3-[5-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-1H-imidazol-4-yl]phenol
SMILESCN(C)Cc1nc(-c2cccc(O)c2)c(-c2ccc(C(C)(C)C)cc2)[nH]1
InChIInChI=1S/C22H27N3O/c1-22(2,3)17-11-9-15(10-12-17)20-21(16-7-6-8-18(26)13-16)24-19(23-20)14-25(4)5/h6-13,26H,14H2,1-5H3,(H,23,24)
InChIKeyOKRDCQIXNJFHHM-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.81
Rot. Bonds4

About 3-[5-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-1H-imidazol-4-yl]phenol

3-[5-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-1H-imidazol-4-yl]phenol (PubChem CID 25001430) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-[5-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-1H-imidazol-4-yl]phenol.

Molecular Properties

Compound Name3-[5-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-1H-imidazol-4-yl]phenol
PubChem CID25001430
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name3-[5-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-1H-imidazol-4-yl]phenol
SMILESCN(C)Cc1nc(-c2cccc(O)c2)c(-c2ccc(C(C)(C)C)cc2)[nH]1
InChIInChI=1S/C22H27N3O/c1-22(2,3)17-11-9-15(10-12-17)20-21(16-7-6-8-18(26)13-16)24-19(23-20)14-25(4)5/h6-13,26H,14H2,1-5H3,(H,23,24)
InChIKeyOKRDCQIXNJFHHM-UHFFFAOYSA-N
XLogP4.81
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-tert-butylphenyl)-5-[(dimethylamino)methyl]-1,2,4-triazol-3-yl]phenol
CID 25000426
3-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol
CID 115037876
2-[(dimethylamino)methyl]-8-(3-hydroxyphenyl)-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
CID 135927949
3-[2-(4-tert-butylphenyl)-5-[(dimethylamino)methyl]-3H-pyrrol-3-yl]phenol
CID 25001120
2-[4-(4-tert-butylphenyl)phenyl]-4,5-diphenyl-1H-imidazole
CID 102124708
(4,5-diphenyl-1H-imidazol-2-yl)methanol
CID 63926988
3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol
CID 57341687
3-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methoxy-N,2-dimethylpropanamide
CID 139949983
1-[6-(4-tert-butylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N-dimethylmethanamine
CID 139958684
3-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-2-(3-methylphenyl)propanoic acid
CID 11212033
3-[4-(dimethylamino)phenyl]phenol
CID 39231657
2-butyl-4,5-diphenyl-1H-imidazole
CID 14710025

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-1H-imidazol-4-yl]phenol?
The IUPAC name of 3-[5-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-1H-imidazol-4-yl]phenol (CID 25001430) is 3-[5-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-1H-imidazol-4-yl]phenol.
What is the SMILES notation for 3-[5-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-1H-imidazol-4-yl]phenol?
The canonical SMILES for 3-[5-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-1H-imidazol-4-yl]phenol is CN(C)Cc1nc(-c2cccc(O)c2)c(-c2ccc(C(C)(C)C)cc2)[nH]1.
What is the InChIKey of 3-[5-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-1H-imidazol-4-yl]phenol?
The InChIKey is OKRDCQIXNJFHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-22(2,3)17-11-9-15(10-12-17)20-21(16-7-6-8-18(26)13-16)24-19(23-20)14-25(4)5/h6-13,26H,14H2,1-5H3,(H,23,24).
What are the key properties of 3-[5-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-1H-imidazol-4-yl]phenol?
3-[5-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-1H-imidazol-4-yl]phenol has a molecular weight of 349.48 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-tert-butylphenyl)-2-[(dimethylamino)methyl]-1H-imidazol-4-yl]phenol is sourced from PubChem (CID 25001430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).