6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole

C24H26N4O — CID 25004450

IUPAC6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole
SMILESCOc1cc(/C=C/c2nc3ccc(C(C)(C)C)cc3[nH]2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H26N4O/c1-16-14-28(15-25-16)21-10-6-17(12-22(21)29-5)7-11-23-26-19-9-8-18(24(2,3)4)13-20(19)27-23/h6-15H,1-5H3,(H,26,27)/b11-7+
InChIKeyDVYIZECOJISEOD-YRNVUSSQSA-N
MW386.50 g/mol
LogP5.53
Rot. Bonds4

About 6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole

6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole (PubChem CID 25004450) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole
PubChem CID25004450
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole
SMILESCOc1cc(/C=C/c2nc3ccc(C(C)(C)C)cc3[nH]2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H26N4O/c1-16-14-28(15-25-16)21-10-6-17(12-22(21)29-5)7-11-23-26-19-9-8-18(24(2,3)4)13-20(19)27-23/h6-15H,1-5H3,(H,26,27)/b11-7+
InChIKeyDVYIZECOJISEOD-YRNVUSSQSA-N
XLogP5.53
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 68717315
N,N-diethyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3H-benzimidazole-5-sulfinamide
CID 143733514
N,N-diethyl-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3H-benzimidazole-5-sulfonamide;2,2,2-trifluoroacetic acid
CID 68719048
2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3H-benzo[g]quinazolin-4-one
CID 136601982
5-tert-butyl-3-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1,2,4-oxadiazole
CID 68717820
5,7-dichloro-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid
CID 173103781
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 68521034
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 59528030
5-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 25004783
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-methylprop-2-enamide
CID 142686276
2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66839114
8-cyclopropyl-2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66839149

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole?
The IUPAC name of 6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole (CID 25004450) is 6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole.
What is the SMILES notation for 6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole?
The canonical SMILES for 6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole is COc1cc(/C=C/c2nc3ccc(C(C)(C)C)cc3[nH]2)ccc1-n1cnc(C)c1.
What is the InChIKey of 6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole?
The InChIKey is DVYIZECOJISEOD-YRNVUSSQSA-N. The full InChI is InChI=1S/C24H26N4O/c1-16-14-28(15-25-16)21-10-6-17(12-22(21)29-5)7-11-23-26-19-9-8-18(24(2,3)4)13-20(19)27-23/h6-15H,1-5H3,(H,26,27)/b11-7+.
What are the key properties of 6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole?
6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole has a molecular weight of 386.50 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1H-benzimidazole is sourced from PubChem (CID 25004450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).