9-[4-(benzimidazol-1-yl)butyl]carbazole

C23H21N3 — CID 155563048

IUPAC9-[4-(benzimidazol-1-yl)butyl]carbazole
SMILESc1ccc2c(c1)ncn2CCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H21N3/c1-4-12-21-18(9-1)19-10-2-5-13-22(19)26(21)16-8-7-15-25-17-24-20-11-3-6-14-23(20)25/h1-6,9-14,17H,7-8,15-16H2
InChIKeyKPPWWABGRMHDMC-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.62
Rot. Bonds5

About 9-[4-(benzimidazol-1-yl)butyl]carbazole

9-[4-(benzimidazol-1-yl)butyl]carbazole (PubChem CID 155563048) has the molecular formula C23H21N3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 9-[4-(benzimidazol-1-yl)butyl]carbazole.

Molecular Properties

Compound Name9-[4-(benzimidazol-1-yl)butyl]carbazole
PubChem CID155563048
Molecular FormulaC23H21N3
Molecular Weight339.44 g/mol
Exact Mass339.17
IUPAC Name9-[4-(benzimidazol-1-yl)butyl]carbazole
SMILESc1ccc2c(c1)ncn2CCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C23H21N3/c1-4-12-21-18(9-1)19-10-2-5-13-22(19)26(21)16-8-7-15-25-17-24-20-11-3-6-14-23(20)25/h1-6,9-14,17H,7-8,15-16H2
InChIKeyKPPWWABGRMHDMC-UHFFFAOYSA-N
XLogP5.62
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(benzimidazol-1-yl)butyl]carbazole?
The IUPAC name of 9-[4-(benzimidazol-1-yl)butyl]carbazole (CID 155563048) is 9-[4-(benzimidazol-1-yl)butyl]carbazole.
What is the SMILES notation for 9-[4-(benzimidazol-1-yl)butyl]carbazole?
The canonical SMILES for 9-[4-(benzimidazol-1-yl)butyl]carbazole is c1ccc2c(c1)ncn2CCCCn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[4-(benzimidazol-1-yl)butyl]carbazole?
The InChIKey is KPPWWABGRMHDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3/c1-4-12-21-18(9-1)19-10-2-5-13-22(19)26(21)16-8-7-15-25-17-24-20-11-3-6-14-23(20)25/h1-6,9-14,17H,7-8,15-16H2.
What are the key properties of 9-[4-(benzimidazol-1-yl)butyl]carbazole?
9-[4-(benzimidazol-1-yl)butyl]carbazole has a molecular weight of 339.44 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(benzimidazol-1-yl)butyl]carbazole is sourced from PubChem (CID 155563048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).