2-[bis(1-methylindol-3-yl)methyl]-1H-benzimidazole

C26H22N4 — CID 175519385

IUPAC2-[bis(1-methylindol-3-yl)methyl]-1H-benzimidazole
SMILESCn1cc(C(c2nc3ccccc3[nH]2)c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C26H22N4/c1-29-15-19(17-9-3-7-13-23(17)29)25(26-27-21-11-5-6-12-22(21)28-26)20-16-30(2)24-14-8-4-10-18(20)24/h3-16,25H,1-2H3,(H,27,28)
InChIKeyWMHXFEXWTJEUQI-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.73
Rot. Bonds3

About 2-[bis(1-methylindol-3-yl)methyl]-1H-benzimidazole

2-[bis(1-methylindol-3-yl)methyl]-1H-benzimidazole (PubChem CID 175519385) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[bis(1-methylindol-3-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[bis(1-methylindol-3-yl)methyl]-1H-benzimidazole
PubChem CID175519385
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC Name2-[bis(1-methylindol-3-yl)methyl]-1H-benzimidazole
SMILESCn1cc(C(c2nc3ccccc3[nH]2)c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C26H22N4/c1-29-15-19(17-9-3-7-13-23(17)29)25(26-27-21-11-5-6-12-22(21)28-26)20-16-30(2)24-14-8-4-10-18(20)24/h3-16,25H,1-2H3,(H,27,28)
InChIKeyWMHXFEXWTJEUQI-UHFFFAOYSA-N
XLogP5.73
TPSA38.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylindol-3-yl)methyl]-1H-benzimidazole
CID 141019413
2-propan-2-yl-1H-benzimidazole
CID 22121
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
1-methyl-3-propan-2-ylindole
CID 10942942
1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole
CID 5087383
1-methyl-3-[(1-methylindol-3-yl)-(2-methylphenyl)methyl]indole
CID 177441153
3-[1H-indol-3-yl(pyridin-4-yl)methyl]-1-methylindole
CID 71444035
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
1H-imidazol-2-yl-(1-methylindol-3-yl)methanamine
CID 116835166
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
CID 174852068

Frequently Asked Questions

What is the IUPAC name of 2-[bis(1-methylindol-3-yl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[bis(1-methylindol-3-yl)methyl]-1H-benzimidazole (CID 175519385) is 2-[bis(1-methylindol-3-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[bis(1-methylindol-3-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[bis(1-methylindol-3-yl)methyl]-1H-benzimidazole is Cn1cc(C(c2nc3ccccc3[nH]2)c2cn(C)c3ccccc23)c2ccccc21.
What is the InChIKey of 2-[bis(1-methylindol-3-yl)methyl]-1H-benzimidazole?
The InChIKey is WMHXFEXWTJEUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4/c1-29-15-19(17-9-3-7-13-23(17)29)25(26-27-21-11-5-6-12-22(21)28-26)20-16-30(2)24-14-8-4-10-18(20)24/h3-16,25H,1-2H3,(H,27,28).
What are the key properties of 2-[bis(1-methylindol-3-yl)methyl]-1H-benzimidazole?
2-[bis(1-methylindol-3-yl)methyl]-1H-benzimidazole has a molecular weight of 390.49 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(1-methylindol-3-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 175519385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).