2-[1-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethyl]-9-pyridin-2-ylcarbazole

C33H28N4 — CID 154622354

IUPAC2-[1-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethyl]-9-pyridin-2-ylcarbazole
SMILESCN1CN(C(C)(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2ccccc21
InChIInChI=1S/C33H28N4/c1-33(24-12-4-3-5-13-24,36-23-35(2)29-16-8-9-17-30(29)36)25-19-20-27-26-14-6-7-15-28(26)37(31(27)22-25)32-18-10-11-21-34-32/h3-22H,23H2,1-2H3
InChIKeyANOYYUMFPRUYSW-UHFFFAOYSA-N
MW480.62 g/mol
LogP7.36
Rot. Bonds4

About 2-[1-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethyl]-9-pyridin-2-ylcarbazole

2-[1-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethyl]-9-pyridin-2-ylcarbazole (PubChem CID 154622354) has the molecular formula C33H28N4 and a molecular weight of 480.62 g/mol. Its IUPAC name is 2-[1-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethyl]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[1-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethyl]-9-pyridin-2-ylcarbazole
PubChem CID154622354
Molecular FormulaC33H28N4
Molecular Weight480.62 g/mol
Exact Mass480.23
IUPAC Name2-[1-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethyl]-9-pyridin-2-ylcarbazole
SMILESCN1CN(C(C)(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2ccccc21
InChIInChI=1S/C33H28N4/c1-33(24-12-4-3-5-13-24,36-23-35(2)29-16-8-9-17-30(29)36)25-19-20-27-26-14-6-7-15-28(26)37(31(27)22-25)32-18-10-11-21-34-32/h3-22H,23H2,1-2H3
InChIKeyANOYYUMFPRUYSW-UHFFFAOYSA-N
XLogP7.36
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.62
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole
CID 167399505
N-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine
CID 170933731
dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane
CID 171434230
2-[difluoro-[3-phenyl-5-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-pyridin-2-ylcarbazole
CID 163629017
2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 140729981
9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole
CID 167382027
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
2-[[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606511
9-pyridin-2-yl-N-(9-pyridin-2-ylcarbazol-2-yl)carbazol-2-amine
CID 137412781
9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155622877
2-[[3-tert-butyl-5-(5-tert-butyl-3,6-dimethyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 171771527
9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethyl]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[1-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethyl]-9-pyridin-2-ylcarbazole (CID 154622354) is 2-[1-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethyl]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[1-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethyl]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[1-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethyl]-9-pyridin-2-ylcarbazole is CN1CN(C(C)(c2ccccc2)c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2ccccc21.
What is the InChIKey of 2-[1-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethyl]-9-pyridin-2-ylcarbazole?
The InChIKey is ANOYYUMFPRUYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N4/c1-33(24-12-4-3-5-13-24,36-23-35(2)29-16-8-9-17-30(29)36)25-19-20-27-26-14-6-7-15-28(26)37(31(27)22-25)32-18-10-11-21-34-32/h3-22H,23H2,1-2H3.
What are the key properties of 2-[1-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethyl]-9-pyridin-2-ylcarbazole?
2-[1-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethyl]-9-pyridin-2-ylcarbazole has a molecular weight of 480.62 g/mol, XLogP of 7.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethyl]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 154622354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).