7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole

C38H25FN4S — CID 140953603

IUPAC7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole
SMILESCn1c(-c2cccc(C(F)c3cc4c(c5ccccc5n4-c4ccccn4)c4sc5ccccc5c34)c2)nc2ccccc21
InChIInChI=1S/C38H25FN4S/c1-42-30-17-6-4-15-28(30)41-38(42)24-12-10-11-23(21-24)36(39)27-22-31-35(37-34(27)26-14-3-7-18-32(26)44-37)25-13-2-5-16-29(25)43(31)33-19-8-9-20-40-33/h2-22,36H,1H3
InChIKeyPEOLFMUFLSQGDX-UHFFFAOYSA-N
MW588.71 g/mol
LogP10.16
Rot. Bonds4

About 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole

7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 140953603) has the molecular formula C38H25FN4S and a molecular weight of 588.71 g/mol. Its IUPAC name is 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole
PubChem CID140953603
Molecular FormulaC38H25FN4S
Molecular Weight588.71 g/mol
Exact Mass588.18
IUPAC Name7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole
SMILESCn1c(-c2cccc(C(F)c3cc4c(c5ccccc5n4-c4ccccn4)c4sc5ccccc5c34)c2)nc2ccccc21
InChIInChI=1S/C38H25FN4S/c1-42-30-17-6-4-15-28(30)41-38(42)24-12-10-11-23(21-24)36(39)27-22-31-35(37-34(27)26-14-3-7-18-32(26)44-37)25-13-2-5-16-29(25)43(31)33-19-8-9-20-40-33/h2-22,36H,1H3
InChIKeyPEOLFMUFLSQGDX-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

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
2-[3-(1,10-Phenanthrolin-5-yl)-5-[3-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole
CID 59439662
8-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propyl-3H-[1]benzothiolo[2,3-e]benzimidazole
CID 67681313
14-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-4-propan-2-yl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene
CID 67681335
7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-3H-[1]benzothiolo[2,3-f]benzimidazole
CID 67685049
1-N,6-N-di(dibenzothiophen-1-yl)-6-N-(2-fluorophenyl)-1-N-pyridin-2-ylpyrene-1,6-diamine
CID 89798904
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
8-[3-fluoro-4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-3H-[1]benzothiolo[2,3-e]benzimidazole
CID 89934475
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
14-[3-fluoro-4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-4-propan-2-yl-10-thia-3,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),4,7(11),8,13,15-heptaene
CID 89945720
7-[3-fluoro-4-(2-propan-2-yl-1H-imidazol-5-yl)phenyl]-2-propan-2-yl-9,10-dihydro-1H-[1]benzothiolo[6,7-e]benzimidazole
CID 89945796

Frequently Asked Questions

What is the IUPAC name of 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole (CID 140953603) is 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole is Cn1c(-c2cccc(C(F)c3cc4c(c5ccccc5n4-c4ccccn4)c4sc5ccccc5c34)c2)nc2ccccc21.
What is the InChIKey of 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is PEOLFMUFLSQGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25FN4S/c1-42-30-17-6-4-15-28(30)41-38(42)24-12-10-11-23(21-24)36(39)27-22-31-35(37-34(27)26-14-3-7-18-32(26)44-37)25-13-2-5-16-29(25)43(31)33-19-8-9-20-40-33/h2-22,36H,1H3.
What are the key properties of 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole?
7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]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 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 140953603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).