(3-benzylimidazol-4-yl)-(2-methyl-4-phenylquinolin-6-yl)methanol;ethane

C33H41N3O — CID 91148483

IUPAC(3-benzylimidazol-4-yl)-(2-methyl-4-phenylquinolin-6-yl)methanol;ethane
SMILESCC.CC.CC.Cc1cc(-c2ccccc2)c2cc(C(O)c3cncn3Cc3ccccc3)ccc2n1
InChIInChI=1S/C27H23N3O.3C2H6/c1-19-14-23(21-10-6-3-7-11-21)24-15-22(12-13-25(24)29-19)27(31)26-16-28-18-30(26)17-20-8-4-2-5-9-20;3*1-2/h2-16,18,27,31H,17H2,1H3;3*1-2H3
InChIKeyQXHWQJXNLGKCQE-UHFFFAOYSA-N
MW495.71 g/mol
LogP8.62
Rot. Bonds5

About (3-benzylimidazol-4-yl)-(2-methyl-4-phenylquinolin-6-yl)methanol;ethane

(3-benzylimidazol-4-yl)-(2-methyl-4-phenylquinolin-6-yl)methanol;ethane (PubChem CID 91148483) has the molecular formula C33H41N3O and a molecular weight of 495.71 g/mol. Its IUPAC name is (3-benzylimidazol-4-yl)-(2-methyl-4-phenylquinolin-6-yl)methanol;ethane.

Molecular Properties

Compound Name(3-benzylimidazol-4-yl)-(2-methyl-4-phenylquinolin-6-yl)methanol;ethane
PubChem CID91148483
Molecular FormulaC33H41N3O
Molecular Weight495.71 g/mol
Exact Mass495.32
IUPAC Name(3-benzylimidazol-4-yl)-(2-methyl-4-phenylquinolin-6-yl)methanol;ethane
SMILESCC.CC.CC.Cc1cc(-c2ccccc2)c2cc(C(O)c3cncn3Cc3ccccc3)ccc2n1
InChIInChI=1S/C27H23N3O.3C2H6/c1-19-14-23(21-10-6-3-7-11-21)24-15-22(12-13-25(24)29-19)27(31)26-16-28-18-30(26)17-20-8-4-2-5-9-20;3*1-2/h2-16,18,27,31H,17H2,1H3;3*1-2H3
InChIKeyQXHWQJXNLGKCQE-UHFFFAOYSA-N
XLogP8.62
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.71
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methanol
CID 23592025
[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 22048492
[3-[(4-methylphenyl)methyl]imidazol-4-yl]-[6-(4-methylthiophen-3-yl)-3-pyridinyl]methanol
CID 54191891
4-[hydroxy-[3-[(4-phenoxyphenyl)methyl]imidazol-4-yl]methyl]benzonitrile
CID 142627977
[2-methyl-4-(4-methylphenyl)phenyl]-[3-[(3-methylphenyl)methyl]imidazol-4-yl]methanol
CID 54432683
6-methoxy-2-methyl-4-phenylquinoline
CID 12787220
1-benzyl-5-[3,3-bis(4-methylphenyl)prop-1-en-2-yl]imidazole
CID 19904251
1-benzyl-5-[3,3-bis(3-methylphenyl)prop-1-en-2-yl]imidazole
CID 19904252
(3-methylimidazol-4-yl)-naphthalen-2-ylmethanol
CID 66116281
(3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66129636
1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol
CID 22466867
2-[3-(2-methylquinolin-4-yl)phenyl]acetic acid
CID 155909496

Frequently Asked Questions

What is the IUPAC name of (3-benzylimidazol-4-yl)-(2-methyl-4-phenylquinolin-6-yl)methanol;ethane?
The IUPAC name of (3-benzylimidazol-4-yl)-(2-methyl-4-phenylquinolin-6-yl)methanol;ethane (CID 91148483) is (3-benzylimidazol-4-yl)-(2-methyl-4-phenylquinolin-6-yl)methanol;ethane.
What is the SMILES notation for (3-benzylimidazol-4-yl)-(2-methyl-4-phenylquinolin-6-yl)methanol;ethane?
The canonical SMILES for (3-benzylimidazol-4-yl)-(2-methyl-4-phenylquinolin-6-yl)methanol;ethane is CC.CC.CC.Cc1cc(-c2ccccc2)c2cc(C(O)c3cncn3Cc3ccccc3)ccc2n1.
What is the InChIKey of (3-benzylimidazol-4-yl)-(2-methyl-4-phenylquinolin-6-yl)methanol;ethane?
The InChIKey is QXHWQJXNLGKCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O.3C2H6/c1-19-14-23(21-10-6-3-7-11-21)24-15-22(12-13-25(24)29-19)27(31)26-16-28-18-30(26)17-20-8-4-2-5-9-20;3*1-2/h2-16,18,27,31H,17H2,1H3;3*1-2H3.
What are the key properties of (3-benzylimidazol-4-yl)-(2-methyl-4-phenylquinolin-6-yl)methanol;ethane?
(3-benzylimidazol-4-yl)-(2-methyl-4-phenylquinolin-6-yl)methanol;ethane has a molecular weight of 495.71 g/mol, XLogP of 8.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylimidazol-4-yl)-(2-methyl-4-phenylquinolin-6-yl)methanol;ethane is sourced from PubChem (CID 91148483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).