5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole

C16H13BrN4 — CID 177401759

IUPAC5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole
SMILESCn1cnc2cc(-c3nc4cc(Br)ccc4n3C)ccc21
InChIInChI=1S/C16H13BrN4/c1-20-9-18-12-7-10(3-5-14(12)20)16-19-13-8-11(17)4-6-15(13)21(16)2/h3-9H,1-2H3
InChIKeySSTXVDHBGRVWCT-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.89
Rot. Bonds1

About 5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole

5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole (PubChem CID 177401759) has the molecular formula C16H13BrN4 and a molecular weight of 341.21 g/mol. Its IUPAC name is 5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole
PubChem CID177401759
Molecular FormulaC16H13BrN4
Molecular Weight341.21 g/mol
Exact Mass340.03
IUPAC Name5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole
SMILESCn1cnc2cc(-c3nc4cc(Br)ccc4n3C)ccc21
InChIInChI=1S/C16H13BrN4/c1-20-9-18-12-7-10(3-5-14(12)20)16-19-13-8-11(17)4-6-15(13)21(16)2/h3-9H,1-2H3
InChIKeySSTXVDHBGRVWCT-UHFFFAOYSA-N
XLogP3.89
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-1-methyl-2-[1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazol-5-yl]benzimidazole
CID 177490277
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5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole
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2-(4-bromophenyl)-1-methylbenzimidazol-5-amine
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5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole
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2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 63893020
5-(5-bromo-1-methylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine
CID 62792169
1,5-dimethylbenzimidazole;ethene
CID 145318091
5-bromo-1-methyl-2-methylsulfanylbenzimidazole
CID 83679153
5-bromo-2-ethyl-1-methylbenzimidazole
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3-(1-methylbenzimidazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 122231731
5-(5-bromo-1-methylbenzimidazol-2-yl)-2,4-difluoroaniline
CID 60836698

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole?
The IUPAC name of 5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole (CID 177401759) is 5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole.
What is the SMILES notation for 5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole?
The canonical SMILES for 5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole is Cn1cnc2cc(-c3nc4cc(Br)ccc4n3C)ccc21.
What is the InChIKey of 5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole?
The InChIKey is SSTXVDHBGRVWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4/c1-20-9-18-12-7-10(3-5-14(12)20)16-19-13-8-11(17)4-6-15(13)21(16)2/h3-9H,1-2H3.
What are the key properties of 5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole?
5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole has a molecular weight of 341.21 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole is sourced from PubChem (CID 177401759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).