dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane

C33H30N4S — CID 171434230

IUPACdimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane
SMILESCN1CN(c2cccc(S(C)(C)c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C33H30N4S/c1-35-23-36(31-16-7-6-15-30(31)35)24-11-10-12-25(21-24)38(2,3)26-18-19-28-27-13-4-5-14-29(27)37(32(28)22-26)33-17-8-9-20-34-33/h4-22H,23H2,1-3H3
InChIKeyAMVQWGJKYZLMCB-UHFFFAOYSA-N
MW514.70 g/mol
LogP8.21
Rot. Bonds4

About dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane

dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane (PubChem CID 171434230) has the molecular formula C33H30N4S and a molecular weight of 514.70 g/mol. Its IUPAC name is dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane.

Molecular Properties

Compound Namedimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane
PubChem CID171434230
Molecular FormulaC33H30N4S
Molecular Weight514.70 g/mol
Exact Mass514.22
IUPAC Namedimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane
SMILESCN1CN(c2cccc(S(C)(C)c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C33H30N4S/c1-35-23-36(31-16-7-6-15-30(31)35)24-11-10-12-25(21-24)38(2,3)26-18-19-28-27-13-4-5-14-29(27)37(32(28)22-26)33-17-8-9-20-34-33/h4-22H,23H2,1-3H3
InChIKeyAMVQWGJKYZLMCB-UHFFFAOYSA-N
XLogP8.21
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.70
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671
1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole
CID 164731668
9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole
CID 167399505
2-[2,2-bis(3-methylimidazol-4-yl)-1-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]ethenyl]-9-pyridin-2-ylcarbazole
CID 176871630
22-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,23,25-dodecaene
CID 176821515
2-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-phenylcarbazole
CID 165154915
2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606505
[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]silane
CID 167381579
2-[1-(3-methyl-2H-benzimidazol-1-yl)-1-phenylethyl]-9-pyridin-2-ylcarbazole
CID 154622354
2-(4-carbazol-9-yl-3-methyl-2H-imidazol-1-yl)-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 140729981
9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
CID 167382297
9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine
CID 168848640

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane?
The IUPAC name of dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane (CID 171434230) is dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane.
What is the SMILES notation for dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane?
The canonical SMILES for dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane is CN1CN(c2cccc(S(C)(C)c3ccc4c5ccccc5n(-c5ccccn5)c4c3)c2)c2ccccc21.
What is the InChIKey of dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane?
The InChIKey is AMVQWGJKYZLMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N4S/c1-35-23-36(31-16-7-6-15-30(31)35)24-11-10-12-25(21-24)38(2,3)26-18-19-28-27-13-4-5-14-29(27)37(32(28)22-26)33-17-8-9-20-34-33/h4-22H,23H2,1-3H3.
What are the key properties of dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane?
dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane has a molecular weight of 514.70 g/mol, XLogP of 8.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-(9-pyridin-2-ylcarbazol-2-yl)-λ4-sulfane is sourced from PubChem (CID 171434230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).