2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole

C18H18N4O4 — CID 177451746

IUPAC2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc(OC)c2nc(-c3nc4c(OC)cc(OC)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C18H18N4O4/c1-23-9-5-11-15(13(7-9)25-3)21-17(19-11)18-20-12-6-10(24-2)8-14(26-4)16(12)22-18/h5-8H,1-4H3,(H,19,21)(H,20,22)
InChIKeyINLDKFZPVIXYPW-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.14
Rot. Bonds5

About 2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole

2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole (PubChem CID 177451746) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole
PubChem CID177451746
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole
SMILESCOc1cc(OC)c2nc(-c3nc4c(OC)cc(OC)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C18H18N4O4/c1-23-9-5-11-15(13(7-9)25-3)21-17(19-11)18-20-12-6-10(24-2)8-14(26-4)16(12)22-18/h5-8H,1-4H3,(H,19,21)(H,20,22)
InChIKeyINLDKFZPVIXYPW-UHFFFAOYSA-N
XLogP3.14
TPSA94.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-(2-chlorophenyl)-6-methoxy-1H-benzimidazole
CID 91686434
4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 58065677
2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole
CID 82942404
4-(2-methoxyphenoxy)-6-(3-methoxyphenoxy)-2-pyridin-2-yl-1H-benzimidazole
CID 23145531
4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole
CID 91686527
6-chloro-4-methoxy-2-methyl-1H-benzimidazole
CID 118993823
1,3,6,8-tetramethoxyacridine
CID 175793272
4-bromo-2-(3-chloro-4-methylphenyl)-6-methoxy-1H-benzimidazole
CID 91686479
4-chloro-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 13175389
8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline
CID 70343219
6-(4,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[methyl(1-pyrimidin-2-ylethyl)amino]-4H-pyrazolo[4,3-b]pyridin-5-one
CID 138671525
6,8-dimethoxy-2-methylquinoline
CID 14936500

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole?
The IUPAC name of 2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole (CID 177451746) is 2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole.
What is the SMILES notation for 2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole?
The canonical SMILES for 2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole is COc1cc(OC)c2nc(-c3nc4c(OC)cc(OC)cc4[nH]3)[nH]c2c1.
What is the InChIKey of 2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole?
The InChIKey is INLDKFZPVIXYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-23-9-5-11-15(13(7-9)25-3)21-17(19-11)18-20-12-6-10(24-2)8-14(26-4)16(12)22-18/h5-8H,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole?
2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole has a molecular weight of 354.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole is sourced from PubChem (CID 177451746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).