1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine

C40H40N6O2 — CID 138649430

IUPAC1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(COc2ccc3nc(-c4ccc(-c5nc6ccc(OCc7ccc(CN(C)C)cc7)cc6[nH]5)cc4)[nH]c3c2)cc1
InChIInChI=1S/C40H40N6O2/c1-45(2)23-27-5-9-29(10-6-27)25-47-33-17-19-35-37(21-33)43-39(41-35)31-13-15-32(16-14-31)40-42-36-20-18-34(22-38(36)44-40)48-26-30-11-7-28(8-12-30)24-46(3)4/h5-22H,23-26H2,1-4H3,(H,41,43)(H,42,44)
InChIKeyRUZUIKZFGSRZDD-UHFFFAOYSA-N
MW636.80 g/mol
LogP8.05
Rot. Bonds12

About 1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine

1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine (PubChem CID 138649430) has the molecular formula C40H40N6O2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine
PubChem CID138649430
Molecular FormulaC40H40N6O2
Molecular Weight636.80 g/mol
Exact Mass636.32
IUPAC Name1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(COc2ccc3nc(-c4ccc(-c5nc6ccc(OCc7ccc(CN(C)C)cc7)cc6[nH]5)cc4)[nH]c3c2)cc1
InChIInChI=1S/C40H40N6O2/c1-45(2)23-27-5-9-29(10-6-27)25-47-33-17-19-35-37(21-33)43-39(41-35)31-13-15-32(16-14-31)40-42-36-20-18-34(22-38(36)44-40)48-26-30-11-7-28(8-12-30)24-46(3)4/h5-22H,23-26H2,1-4H3,(H,41,43)(H,42,44)
InChIKeyRUZUIKZFGSRZDD-UHFFFAOYSA-N
XLogP8.05
TPSA82.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 58.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

3-[[2-[4-(1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylpropan-1-amine
CID 138650020
1-[1-[2-[[2-[4-[6-[2-[4-[(dimethylamino)methyl]triazol-1-yl]ethoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]ethyl]triazol-4-yl]-N,N-dimethylmethanamine
CID 138649250
N-methyl-4-(6-phenylmethoxy-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline
CID 21260449
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
6-ethoxy-2-pyridin-4-yl-1H-benzimidazole
CID 12855474
4-(6-propoxy-1H-benzimidazol-2-yl)aniline
CID 82331892
2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole
CID 168555593
3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide
CID 4915123
2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethanol
CID 84816371
2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole
CID 110534777
ethane;2-methyl-6-(pyridin-4-ylmethoxy)-1H-benzimidazole
CID 143653582
4-[[2-[4-[6-[4-(dimethylamino)cyclohexyl]oxy-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylcyclohexan-1-amine
CID 138649696

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine (CID 138649430) is 1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(COc2ccc3nc(-c4ccc(-c5nc6ccc(OCc7ccc(CN(C)C)cc7)cc6[nH]5)cc4)[nH]c3c2)cc1.
What is the InChIKey of 1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is RUZUIKZFGSRZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N6O2/c1-45(2)23-27-5-9-29(10-6-27)25-47-33-17-19-35-37(21-33)43-39(41-35)31-13-15-32(16-14-31)40-42-36-20-18-34(22-38(36)44-40)48-26-30-11-7-28(8-12-30)24-46(3)4/h5-22H,23-26H2,1-4H3,(H,41,43)(H,42,44).
What are the key properties of 1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine?
1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 636.80 g/mol, XLogP of 8.05, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[4-[6-[[4-[(dimethylamino)methyl]phenyl]methoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxymethyl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 138649430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).