9-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]carbazole

C31H22N4 — CID 102442666

IUPAC9-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]carbazole
SMILESc1ccc(-c2nc3ccccc3n2Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)nc1
InChIInChI=1S/C31H22N4/c1-4-13-28-24(9-1)25-10-2-5-14-29(25)35(28)23-18-16-22(17-19-23)21-34-30-15-6-3-11-26(30)33-31(34)27-12-7-8-20-32-27/h1-20H,21H2
InChIKeyMXKGMRZNASFJDK-UHFFFAOYSA-N
MW450.55 g/mol
LogP7.24
Rot. Bonds4

About 9-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]carbazole

9-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]carbazole (PubChem CID 102442666) has the molecular formula C31H22N4 and a molecular weight of 450.55 g/mol. Its IUPAC name is 9-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]carbazole
PubChem CID102442666
Molecular FormulaC31H22N4
Molecular Weight450.55 g/mol
Exact Mass450.18
IUPAC Name9-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]carbazole
SMILESc1ccc(-c2nc3ccccc3n2Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)nc1
InChIInChI=1S/C31H22N4/c1-4-13-28-24(9-1)25-10-2-5-14-29(25)35(28)23-18-16-22(17-19-23)21-34-30-15-6-3-11-26(30)33-31(34)27-12-7-8-20-32-27/h1-20H,21H2
InChIKeyMXKGMRZNASFJDK-UHFFFAOYSA-N
XLogP7.24
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.55
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]carbazole?
The IUPAC name of 9-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]carbazole (CID 102442666) is 9-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]carbazole is c1ccc(-c2nc3ccccc3n2Cc2ccc(-n3c4ccccc4c4ccccc43)cc2)nc1.
What is the InChIKey of 9-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]carbazole?
The InChIKey is MXKGMRZNASFJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N4/c1-4-13-28-24(9-1)25-10-2-5-14-29(25)35(28)23-18-16-22(17-19-23)21-34-30-15-6-3-11-26(30)33-31(34)27-12-7-8-20-32-27/h1-20H,21H2.
What are the key properties of 9-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]carbazole?
9-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]carbazole has a molecular weight of 450.55 g/mol, XLogP of 7.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]carbazole is sourced from PubChem (CID 102442666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).