6-methyl-2-[3-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)-5-(6-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-2-yl)phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole

C35H26N10 — CID 164950642

IUPAC6-methyl-2-[3-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)-5-(6-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-2-yl)phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole
SMILESCC1=Nc2cc3[nH]c(-c4cc(C5=Nc6cc7[nH]c(C)nc7cc6C5)cc(-c5nc6cc7[nH]c(C)nc7cc6[nH]5)c4)nc3cc2C1
InChIInChI=1S/C35H26N10/c1-15-4-18-9-27-31(11-24(18)36-15)43-34(42-27)21-5-19(23-8-20-10-26-28(12-25(20)41-23)38-16(2)37-26)6-22(7-21)35-44-32-13-29-30(14-33(32)45-35)40-17(3)39-29/h5-7,9-14H,4,8H2,1-3H3,(H,37,38)(H,39,40)(H,42,43)(H,44,45)
InChIKeyAMFPCOSTFKKOKM-UHFFFAOYSA-N
MW586.66 g/mol
LogP7.47
Rot. Bonds3

About 6-methyl-2-[3-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)-5-(6-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-2-yl)phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole

6-methyl-2-[3-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)-5-(6-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-2-yl)phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole (PubChem CID 164950642) has the molecular formula C35H26N10 and a molecular weight of 586.66 g/mol. Its IUPAC name is 6-methyl-2-[3-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)-5-(6-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-2-yl)phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole.

Molecular Properties

Compound Name6-methyl-2-[3-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)-5-(6-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-2-yl)phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole
PubChem CID164950642
Molecular FormulaC35H26N10
Molecular Weight586.66 g/mol
Exact Mass586.23
IUPAC Name6-methyl-2-[3-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)-5-(6-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-2-yl)phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole
SMILESCC1=Nc2cc3[nH]c(-c4cc(C5=Nc6cc7[nH]c(C)nc7cc6C5)cc(-c5nc6cc7[nH]c(C)nc7cc6[nH]5)c4)nc3cc2C1
InChIInChI=1S/C35H26N10/c1-15-4-18-9-27-31(11-24(18)36-15)43-34(42-27)21-5-19(23-8-20-10-26-28(12-25(20)41-23)38-16(2)37-26)6-22(7-21)35-44-32-13-29-30(14-33(32)45-35)40-17(3)39-29/h5-7,9-14H,4,8H2,1-3H3,(H,37,38)(H,39,40)(H,42,43)(H,44,45)
InChIKeyAMFPCOSTFKKOKM-UHFFFAOYSA-N
XLogP7.47
TPSA139.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.66
LogP ≤ 57.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-[3-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)-5-(6-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-2-yl)phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole with MolForge

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Related Compounds

2-methyl-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;sulfur trioxide
CID 162111228
6-methyl-2-(3-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole
CID 159713005
6-methyl-2-(5-methyl-2-pyridinyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole
CID 159713001
6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-3-pyridinyl)-1H-benzimidazole
CID 159713009
6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 159713006
6-methyl-2-[4-[3,6,8-tris[4-(6-methyl-1,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)phenyl]pyren-1-yl]phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole
CID 164792824
3-[4-[6-[2-[4-[3-(dimethylamino)propylsulfanyl]phenyl]-3H-benzimidazol-5-yl]-3H-indol-2-yl]phenyl]sulfanyl-N,N-dimethylpropan-1-amine
CID 158725445
2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole
CID 166805679
2-(3,5-diethylphenyl)-5-(2-methyl-3H-indol-5-yl)-3H-indole
CID 59459658
2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-6-[2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-3H-indol-6-yl]-1H-benzimidazole
CID 159401403
2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole
CID 59364977
4-(3,4-diaminophenyl)benzene-1,2-diamine;4-nitrobenzoic acid;2-(4-nitrophenyl)-6-[2-(4-nitrophenyl)-3H-indol-6-yl]-1H-benzimidazole
CID 159007170

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[3-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)-5-(6-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-2-yl)phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole?
The IUPAC name of 6-methyl-2-[3-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)-5-(6-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-2-yl)phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole (CID 164950642) is 6-methyl-2-[3-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)-5-(6-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-2-yl)phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole.
What is the SMILES notation for 6-methyl-2-[3-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)-5-(6-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-2-yl)phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole?
The canonical SMILES for 6-methyl-2-[3-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)-5-(6-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-2-yl)phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole is CC1=Nc2cc3[nH]c(-c4cc(C5=Nc6cc7[nH]c(C)nc7cc6C5)cc(-c5nc6cc7[nH]c(C)nc7cc6[nH]5)c4)nc3cc2C1.
What is the InChIKey of 6-methyl-2-[3-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)-5-(6-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-2-yl)phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole?
The InChIKey is AMFPCOSTFKKOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N10/c1-15-4-18-9-27-31(11-24(18)36-15)43-34(42-27)21-5-19(23-8-20-10-26-28(12-25(20)41-23)38-16(2)37-26)6-22(7-21)35-44-32-13-29-30(14-33(32)45-35)40-17(3)39-29/h5-7,9-14H,4,8H2,1-3H3,(H,37,38)(H,39,40)(H,42,43)(H,44,45).
What are the key properties of 6-methyl-2-[3-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)-5-(6-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-2-yl)phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole?
6-methyl-2-[3-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)-5-(6-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-2-yl)phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole has a molecular weight of 586.66 g/mol, XLogP of 7.47, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)-5-(6-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-2-yl)phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole is sourced from PubChem (CID 164950642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).