6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole

C17H15N3 — CID 54590193

IUPAC6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole
SMILESCc1ccc2nc(-c3c(C)[nH]c4ccccc34)[nH]c2c1
InChIInChI=1S/C17H15N3/c1-10-7-8-14-15(9-10)20-17(19-14)16-11(2)18-13-6-4-3-5-12(13)16/h3-9,18H,1-2H3,(H,19,20)
InChIKeyKDBDINWDCWUXCL-UHFFFAOYSA-N
MW261.33 g/mol
LogP4.33
Rot. Bonds1

About 6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole

6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole (PubChem CID 54590193) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole
PubChem CID54590193
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole
SMILESCc1ccc2nc(-c3c(C)[nH]c4ccccc34)[nH]c2c1
InChIInChI=1S/C17H15N3/c1-10-7-8-14-15(9-10)20-17(19-14)16-11(2)18-13-6-4-3-5-12(13)16/h3-9,18H,1-2H3,(H,19,20)
InChIKeyKDBDINWDCWUXCL-UHFFFAOYSA-N
XLogP4.33
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
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CID 3532439
2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole
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4-(6-methyl-1H-benzimidazol-2-yl)fluoren-9-one
CID 67359622
2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole
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1-(3,4-difluorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole
CID 155814543
2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 63112795
6-methyl-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922101
2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole
CID 146582271
6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 59378105
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole?
The IUPAC name of 6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole (CID 54590193) is 6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole is Cc1ccc2nc(-c3c(C)[nH]c4ccccc34)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole?
The InChIKey is KDBDINWDCWUXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-10-7-8-14-15(9-10)20-17(19-14)16-11(2)18-13-6-4-3-5-12(13)16/h3-9,18H,1-2H3,(H,19,20).
What are the key properties of 6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole?
6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole has a molecular weight of 261.33 g/mol, XLogP of 4.33, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole is sourced from PubChem (CID 54590193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).