10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole

C38H25FN4S — CID 140951700

IUPAC10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
SMILESCn1c(-c2cccc(C(F)c3ccc4c5ccc6sc7ccccc7c6c5n(-c5ccccn5)c4c3)c2)nc2ccccc21
InChIInChI=1S/C38H25FN4S/c1-42-30-13-4-3-12-29(30)41-38(42)25-10-8-9-23(21-25)36(39)24-16-17-26-27-18-19-33-35(28-11-2-5-14-32(28)44-33)37(27)43(31(26)22-24)34-15-6-7-20-40-34/h2-22,36H,1H3
InChIKeyDGFZDFGWUHVLTA-UHFFFAOYSA-N
MW588.71 g/mol
LogP10.16
Rot. Bonds4

About 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole

10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole (PubChem CID 140951700) has the molecular formula C38H25FN4S and a molecular weight of 588.71 g/mol. Its IUPAC name is 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole.

Molecular Properties

Compound Name10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
PubChem CID140951700
Molecular FormulaC38H25FN4S
Molecular Weight588.71 g/mol
Exact Mass588.18
IUPAC Name10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
SMILESCn1c(-c2cccc(C(F)c3ccc4c5ccc6sc7ccccc7c6c5n(-c5ccccn5)c4c3)c2)nc2ccccc21
InChIInChI=1S/C38H25FN4S/c1-42-30-13-4-3-12-29(30)41-38(42)25-10-8-9-23(21-25)36(39)24-16-17-26-27-18-19-33-35(28-11-2-5-14-32(28)44-33)37(27)43(31(26)22-24)34-15-6-7-20-40-34/h2-22,36H,1H3
InChIKeyDGFZDFGWUHVLTA-UHFFFAOYSA-N
XLogP10.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(p-tolyl)-1-[(E)-2-(2-thienyl)vinyl]pyrazino[1,2-a]benzimidazole
CID 6478366
3-[3-(Benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 86575029
1-Ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-5-thiophen-3-ylbenzimidazole
CID 22380053
1-Ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-thiophen-3-ylbenzimidazole
CID 22380128
5-[[4-(1-Benzothiophen-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine
CID 59130538
5-[[4-(1-Benzothiophen-3-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine
CID 59130555
7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-3H-[1]benzothiolo[2,3-f]benzimidazole
CID 67685049
20-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-16-fluoro-9-thia-15,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 89862285
7-[3-fluoro-4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-3H-[1]benzothiolo[2,3-f]benzimidazole
CID 89945666
10-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-a]carbazole
CID 90130580
N-[4-[9-(3-fluoro-2-pyridinyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195053
N-[4-[5-(3-fluoro-2-pyridinyl)-12-phenylindolo[3,2-c]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 90195086

Frequently Asked Questions

What is the IUPAC name of 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole?
The IUPAC name of 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole (CID 140951700) is 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole.
What is the SMILES notation for 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole?
The canonical SMILES for 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole is Cn1c(-c2cccc(C(F)c3ccc4c5ccc6sc7ccccc7c6c5n(-c5ccccn5)c4c3)c2)nc2ccccc21.
What is the InChIKey of 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole?
The InChIKey is DGFZDFGWUHVLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25FN4S/c1-42-30-13-4-3-12-29(30)41-38(42)25-10-8-9-23(21-25)36(39)24-16-17-26-27-18-19-33-35(28-11-2-5-14-32(28)44-33)37(27)43(31(26)22-24)34-15-6-7-20-40-34/h2-22,36H,1H3.
What are the key properties of 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole?
10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole has a molecular weight of 588.71 g/mol, XLogP of 10.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole is sourced from PubChem (CID 140951700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).