9-ethyl-3-[1-methyl-5-(triazol-1-yl)benzimidazol-2-yl]carbazole

C24H20N6 — CID 122420944

IUPAC9-ethyl-3-[1-methyl-5-(triazol-1-yl)benzimidazol-2-yl]carbazole
SMILESCCn1c2ccccc2c2cc(-c3nc4cc(-n5ccnn5)ccc4n3C)ccc21
InChIInChI=1S/C24H20N6/c1-3-29-21-7-5-4-6-18(21)19-14-16(8-10-22(19)29)24-26-20-15-17(30-13-12-25-27-30)9-11-23(20)28(24)2/h4-15H,3H2,1-2H3
InChIKeyZSEFHZBAIXQASL-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.95
Rot. Bonds3

About 9-ethyl-3-[1-methyl-5-(triazol-1-yl)benzimidazol-2-yl]carbazole

9-ethyl-3-[1-methyl-5-(triazol-1-yl)benzimidazol-2-yl]carbazole (PubChem CID 122420944) has the molecular formula C24H20N6 and a molecular weight of 392.47 g/mol. Its IUPAC name is 9-ethyl-3-[1-methyl-5-(triazol-1-yl)benzimidazol-2-yl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[1-methyl-5-(triazol-1-yl)benzimidazol-2-yl]carbazole
PubChem CID122420944
Molecular FormulaC24H20N6
Molecular Weight392.47 g/mol
Exact Mass392.17
IUPAC Name9-ethyl-3-[1-methyl-5-(triazol-1-yl)benzimidazol-2-yl]carbazole
SMILESCCn1c2ccccc2c2cc(-c3nc4cc(-n5ccnn5)ccc4n3C)ccc21
InChIInChI=1S/C24H20N6/c1-3-29-21-7-5-4-6-18(21)19-14-16(8-10-22(19)29)24-26-20-15-17(30-13-12-25-27-30)9-11-23(20)28(24)2/h4-15H,3H2,1-2H3
InChIKeyZSEFHZBAIXQASL-UHFFFAOYSA-N
XLogP4.95
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[1-methyl-5-(triazol-1-yl)benzimidazol-2-yl]carbazole?
The IUPAC name of 9-ethyl-3-[1-methyl-5-(triazol-1-yl)benzimidazol-2-yl]carbazole (CID 122420944) is 9-ethyl-3-[1-methyl-5-(triazol-1-yl)benzimidazol-2-yl]carbazole.
What is the SMILES notation for 9-ethyl-3-[1-methyl-5-(triazol-1-yl)benzimidazol-2-yl]carbazole?
The canonical SMILES for 9-ethyl-3-[1-methyl-5-(triazol-1-yl)benzimidazol-2-yl]carbazole is CCn1c2ccccc2c2cc(-c3nc4cc(-n5ccnn5)ccc4n3C)ccc21.
What is the InChIKey of 9-ethyl-3-[1-methyl-5-(triazol-1-yl)benzimidazol-2-yl]carbazole?
The InChIKey is ZSEFHZBAIXQASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6/c1-3-29-21-7-5-4-6-18(21)19-14-16(8-10-22(19)29)24-26-20-15-17(30-13-12-25-27-30)9-11-23(20)28(24)2/h4-15H,3H2,1-2H3.
What are the key properties of 9-ethyl-3-[1-methyl-5-(triazol-1-yl)benzimidazol-2-yl]carbazole?
9-ethyl-3-[1-methyl-5-(triazol-1-yl)benzimidazol-2-yl]carbazole has a molecular weight of 392.47 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[1-methyl-5-(triazol-1-yl)benzimidazol-2-yl]carbazole is sourced from PubChem (CID 122420944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).