6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole

C20H17N5 — CID 159713006

IUPAC6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
SMILESCC1=Nc2ccc(-c3ccc4nc(-c5cc(C)[nH]n5)[nH]c4c3)cc2C1
InChIInChI=1S/C20H17N5/c1-11-7-15-9-13(3-5-16(15)21-11)14-4-6-17-18(10-14)23-20(22-17)19-8-12(2)24-25-19/h3-6,8-10H,7H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyJMJWKDUNCHMUSB-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.58
Rot. Bonds2

About 6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole

6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole (PubChem CID 159713006) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
PubChem CID159713006
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
SMILESCC1=Nc2ccc(-c3ccc4nc(-c5cc(C)[nH]n5)[nH]c4c3)cc2C1
InChIInChI=1S/C20H17N5/c1-11-7-15-9-13(3-5-16(15)21-11)14-4-6-17-18(10-14)23-20(22-17)19-8-12(2)24-25-19/h3-6,8-10H,7H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyJMJWKDUNCHMUSB-UHFFFAOYSA-N
XLogP4.58
TPSA69.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-3-pyridinyl)-1H-benzimidazole
CID 159713009
2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 116856632
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529
6-methyl-2-(5-methyl-2-pyridinyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole
CID 159713001
6-methyl-2-(3-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole
CID 159713005
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
(1S)-1-[6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazol-2-yl]ethanol
CID 125448267
2-ethyl-6-[2-(5-propan-2-yl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 136594545
methane;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-5-[2-(4-methylphenyl)-3H-indol-5-yl]-3H-indole;2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(6-methylpyrimidin-4-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;5-(2-propan-2-yl-3H-indol-5-yl)-2-[3-[5-[2-(4-propan-2-ylphenyl)-1H-benzimidazol-5-yl]-3H-indol-2-yl]phenyl]-1H-benzimidazole;2-propan-2-yl-5-[6-(2-propan-2-yl-3H-indol-5-yl)-1H-benzimidazol-2-yl]benzene-1,4-diol;sulfur trioxide
CID 163638485
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole
CID 18683779
2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole
CID 135804563

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole?
The IUPAC name of 6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole (CID 159713006) is 6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole.
What is the SMILES notation for 6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole?
The canonical SMILES for 6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole is CC1=Nc2ccc(-c3ccc4nc(-c5cc(C)[nH]n5)[nH]c4c3)cc2C1.
What is the InChIKey of 6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole?
The InChIKey is JMJWKDUNCHMUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-11-7-15-9-13(3-5-16(15)21-11)14-4-6-17-18(10-14)23-20(22-17)19-8-12(2)24-25-19/h3-6,8-10H,7H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole?
6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole has a molecular weight of 327.39 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-3H-indol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole is sourced from PubChem (CID 159713006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).