6-[2-(6,7-dimethoxy-1-methylnaphthalen-2-yl)-3-ethenyl-4,5-dimethoxyphenyl]-1H-benzimidazole

C30H28N2O4 — CID 90191252

IUPAC6-[2-(6,7-dimethoxy-1-methylnaphthalen-2-yl)-3-ethenyl-4,5-dimethoxyphenyl]-1H-benzimidazole
SMILESC=Cc1c(OC)c(OC)cc(-c2ccc3nc[nH]c3c2)c1-c1ccc2cc(OC)c(OC)cc2c1C
InChIInChI=1S/C30H28N2O4/c1-7-20-29(21-10-8-19-13-26(33-3)27(34-4)14-22(19)17(21)2)23(15-28(35-5)30(20)36-6)18-9-11-24-25(12-18)32-16-31-24/h7-16H,1H2,2-6H3,(H,31,32)
InChIKeyNVRSAEQLUPCYGG-UHFFFAOYSA-N
MW480.56 g/mol
LogP7.04
Rot. Bonds7

About 6-[2-(6,7-dimethoxy-1-methylnaphthalen-2-yl)-3-ethenyl-4,5-dimethoxyphenyl]-1H-benzimidazole

6-[2-(6,7-dimethoxy-1-methylnaphthalen-2-yl)-3-ethenyl-4,5-dimethoxyphenyl]-1H-benzimidazole (PubChem CID 90191252) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is 6-[2-(6,7-dimethoxy-1-methylnaphthalen-2-yl)-3-ethenyl-4,5-dimethoxyphenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[2-(6,7-dimethoxy-1-methylnaphthalen-2-yl)-3-ethenyl-4,5-dimethoxyphenyl]-1H-benzimidazole
PubChem CID90191252
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC Name6-[2-(6,7-dimethoxy-1-methylnaphthalen-2-yl)-3-ethenyl-4,5-dimethoxyphenyl]-1H-benzimidazole
SMILESC=Cc1c(OC)c(OC)cc(-c2ccc3nc[nH]c3c2)c1-c1ccc2cc(OC)c(OC)cc2c1C
InChIInChI=1S/C30H28N2O4/c1-7-20-29(21-10-8-19-13-26(33-3)27(34-4)14-22(19)17(21)2)23(15-28(35-5)30(20)36-6)18-9-11-24-25(12-18)32-16-31-24/h7-16H,1H2,2-6H3,(H,31,32)
InChIKeyNVRSAEQLUPCYGG-UHFFFAOYSA-N
XLogP7.04
TPSA65.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(2-ethenyl-3,4-dimethoxyphenyl)-6,7-dimethoxy-4-methylnaphthalen-1-yl]-1H-benzimidazole
CID 90191253
9-(3H-benzimidazol-5-yl)-2,3,7,8-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium
CID 70875903
[9-(3H-benzimidazol-5-yl)-2,3,7-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium-8-yl]methanol
CID 58064924
6-(2-methoxy-3-pyridinyl)-1H-benzimidazole
CID 50963824
ethane;6-ethenyl-1H-benzimidazole
CID 145471752
6-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 39830614
(E)-3-[4-(3H-benzimidazol-5-yl)-2,5-dimethylphenyl]-2-methylprop-2-enoic acid
CID 59031318
5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole
CID 94069320
2-(3H-benzimidazol-5-yl)quinoxaline
CID 126589483
2,3,6,7-tetramethoxy-1-methylnaphthalene
CID 163473055
6-(4-methoxyphenoxy)-1H-benzimidazole
CID 59279300
2-(3H-benzimidazol-5-yl)phenol
CID 162260962

Frequently Asked Questions

What is the IUPAC name of 6-[2-(6,7-dimethoxy-1-methylnaphthalen-2-yl)-3-ethenyl-4,5-dimethoxyphenyl]-1H-benzimidazole?
The IUPAC name of 6-[2-(6,7-dimethoxy-1-methylnaphthalen-2-yl)-3-ethenyl-4,5-dimethoxyphenyl]-1H-benzimidazole (CID 90191252) is 6-[2-(6,7-dimethoxy-1-methylnaphthalen-2-yl)-3-ethenyl-4,5-dimethoxyphenyl]-1H-benzimidazole.
What is the SMILES notation for 6-[2-(6,7-dimethoxy-1-methylnaphthalen-2-yl)-3-ethenyl-4,5-dimethoxyphenyl]-1H-benzimidazole?
The canonical SMILES for 6-[2-(6,7-dimethoxy-1-methylnaphthalen-2-yl)-3-ethenyl-4,5-dimethoxyphenyl]-1H-benzimidazole is C=Cc1c(OC)c(OC)cc(-c2ccc3nc[nH]c3c2)c1-c1ccc2cc(OC)c(OC)cc2c1C.
What is the InChIKey of 6-[2-(6,7-dimethoxy-1-methylnaphthalen-2-yl)-3-ethenyl-4,5-dimethoxyphenyl]-1H-benzimidazole?
The InChIKey is NVRSAEQLUPCYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-7-20-29(21-10-8-19-13-26(33-3)27(34-4)14-22(19)17(21)2)23(15-28(35-5)30(20)36-6)18-9-11-24-25(12-18)32-16-31-24/h7-16H,1H2,2-6H3,(H,31,32).
What are the key properties of 6-[2-(6,7-dimethoxy-1-methylnaphthalen-2-yl)-3-ethenyl-4,5-dimethoxyphenyl]-1H-benzimidazole?
6-[2-(6,7-dimethoxy-1-methylnaphthalen-2-yl)-3-ethenyl-4,5-dimethoxyphenyl]-1H-benzimidazole has a molecular weight of 480.56 g/mol, XLogP of 7.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6,7-dimethoxy-1-methylnaphthalen-2-yl)-3-ethenyl-4,5-dimethoxyphenyl]-1H-benzimidazole is sourced from PubChem (CID 90191252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).