1-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]-N,N-dimethylmethanamine

C24H23N5O — CID 10069392

IUPAC1-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2nc3ccc(-c4nc5ccc(CN(C)C)cc5[nH]4)cc3[nH]2)cc1
InChIInChI=1S/C24H23N5O/c1-29(2)14-15-4-10-19-21(12-15)27-24(26-19)17-7-11-20-22(13-17)28-23(25-20)16-5-8-18(30-3)9-6-16/h4-13H,14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyGUZYEYYUIHYSDV-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.84
Rot. Bonds5

About 1-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]-N,N-dimethylmethanamine

1-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]-N,N-dimethylmethanamine (PubChem CID 10069392) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]-N,N-dimethylmethanamine
PubChem CID10069392
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name1-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2nc3ccc(-c4nc5ccc(CN(C)C)cc5[nH]4)cc3[nH]2)cc1
InChIInChI=1S/C24H23N5O/c1-29(2)14-15-4-10-19-21(12-15)27-24(26-19)17-7-11-20-22(13-17)28-23(25-20)16-5-8-18(30-3)9-6-16/h4-13H,14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyGUZYEYYUIHYSDV-UHFFFAOYSA-N
XLogP4.84
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Astemizole
CID 2247
Pimobendan
CID 4823
Bisbenzimide
CID 1464
Bisbenzimidazole Trihydrochloride
CID 31953
Raf265
CID 11656518
Bisbenzimidazole
CID 2392
Etodesnitazene
CID 149797386
Metodesnitazene
CID 26412
2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
2-(2-methoxyphenyl)-1H-benzimidazole
CID 759420
Deltarasin
CID 73292904
[3-(4-{2'-[4-(3-Dimethylamino-propoxy)-phenyl]-3h,3'h-[5,5']bibenzoimidazolyl-2-yl}-phenoxy)-propyl]-dimethyl-amine
CID 1946

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]-N,N-dimethylmethanamine (CID 10069392) is 1-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]-N,N-dimethylmethanamine is COc1ccc(-c2nc3ccc(-c4nc5ccc(CN(C)C)cc5[nH]4)cc3[nH]2)cc1.
What is the InChIKey of 1-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]-N,N-dimethylmethanamine?
The InChIKey is GUZYEYYUIHYSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-29(2)14-15-4-10-19-21(12-15)27-24(26-19)17-7-11-20-22(13-17)28-23(25-20)16-5-8-18(30-3)9-6-16/h4-13H,14H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 1-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]-N,N-dimethylmethanamine?
1-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]-N,N-dimethylmethanamine has a molecular weight of 397.48 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-3H-benzimidazol-5-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 10069392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).