5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole

C24H19IN6 — CID 177490277

IUPAC5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole
SMILESCn1cnc2cc(-c3nc4cc(-c5nc6cc(I)ccc6n5C)ccc4n3C)ccc21
InChIInChI=1S/C24H19IN6/c1-29-13-26-17-10-14(4-7-20(17)29)23-27-18-11-15(5-8-21(18)30(23)2)24-28-19-12-16(25)6-9-22(19)31(24)3/h4-13H,1-3H3
InChIKeyCMMUPMKIBDTMAC-UHFFFAOYSA-N
MW518.36 g/mol
LogP5.29
Rot. Bonds2

About 5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole

5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole (PubChem CID 177490277) has the molecular formula C24H19IN6 and a molecular weight of 518.36 g/mol. Its IUPAC name is 5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole.

Molecular Properties

Compound Name5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole
PubChem CID177490277
Molecular FormulaC24H19IN6
Molecular Weight518.36 g/mol
Exact Mass518.07
IUPAC Name5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole
SMILESCn1cnc2cc(-c3nc4cc(-c5nc6cc(I)ccc6n5C)ccc4n3C)ccc21
InChIInChI=1S/C24H19IN6/c1-29-13-26-17-10-14(4-7-20(17)29)23-27-18-11-15(5-8-21(18)30(23)2)24-28-19-12-16(25)6-9-22(19)31(24)3/h4-13H,1-3H3
InChIKeyCMMUPMKIBDTMAC-UHFFFAOYSA-N
XLogP5.29
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.36
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole
CID 177401759
5-(2-bromo-6-methylpyrimidin-4-yl)-1-methylbenzimidazole
CID 116897305
2-(4-iodophenyl)-1-methylbenzimidazole
CID 23094064
1,5-dimethylbenzimidazole;ethene
CID 145318091
N,4-dimethyl-2-(1-methylbenzimidazol-5-yl)-1,3-thiazol-5-amine
CID 116885858
2-(1-methylbenzimidazol-5-yl)-4,5-dihydro-1,3-thiazole
CID 146331604
4-methyl-6-(1-methylbenzimidazol-5-yl)pyrimidine-2-carboxylic acid
CID 116894060
2-(furan-2-yl)-3,7-dimethylimidazo[4,5-f]benzimidazole
CID 12035825
5-(1-methylbenzimidazol-5-yl)-1,3-oxazol-2-amine
CID 116832297
2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole
CID 116970087
3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 122231731
3-(1-methylbenzimidazol-5-yl)benzaldehyde
CID 59474450

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole?
The IUPAC name of 5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole (CID 177490277) is 5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole.
What is the SMILES notation for 5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole?
The canonical SMILES for 5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole is Cn1cnc2cc(-c3nc4cc(-c5nc6cc(I)ccc6n5C)ccc4n3C)ccc21.
What is the InChIKey of 5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole?
The InChIKey is CMMUPMKIBDTMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19IN6/c1-29-13-26-17-10-14(4-7-20(17)29)23-27-18-11-15(5-8-21(18)30(23)2)24-28-19-12-16(25)6-9-22(19)31(24)3/h4-13H,1-3H3.
What are the key properties of 5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole?
5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole has a molecular weight of 518.36 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole is sourced from PubChem (CID 177490277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).