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

C38H25FN4O — CID 140953219

IUPAC10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole
SMILESCn1c(-c2cccc(C(F)c3ccc4c5ccc6oc7ccccc7c6c5n(-c5ccccn5)c4c3)c2)nc2ccccc21
InChIInChI=1S/C38H25FN4O/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
InChIKeyRYOAKMTUJZPHKZ-UHFFFAOYSA-N
MW572.64 g/mol
LogP9.69
Rot. Bonds4

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

10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole (PubChem CID 140953219) has the molecular formula C38H25FN4O and a molecular weight of 572.64 g/mol. Its IUPAC name is 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole
PubChem CID140953219
Molecular FormulaC38H25FN4O
Molecular Weight572.64 g/mol
Exact Mass572.20
IUPAC Name10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole
SMILESCn1c(-c2cccc(C(F)c3ccc4c5ccc6oc7ccccc7c6c5n(-c5ccccn5)c4c3)c2)nc2ccccc21
InChIInChI=1S/C38H25FN4O/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
InChIKeyRYOAKMTUJZPHKZ-UHFFFAOYSA-N
XLogP9.69
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.64
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

6-Benzofuran-2-yl-1-dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indole-4-carboxylic acid methyl ester
CID 10531810
2-[5-(3-Benzyl-3H-imidazol-4-yl)-pyridin-2-yl]-3-(2,3-dihydro-benzofuran-5-yl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11410087
Dimethyl-carbamic acid 1-dimethylcarbamoyl-3-[3-fluoro-4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indol-4-yl ester
CID 10697758
4-Methoxy-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-indole-1-carboxylic acid dimethylamide
CID 10790411
Dimethyl-carbamic acid 1-dimethylcarbamoyl-3-[4-(2-methyl-imidazo[4,5-c]pyridin-1-ylmethyl)-benzoyl]-1H-indol-4-yl ester
CID 11800214
2-(5-(3-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-7-carbonyl)-6-methoxy-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 44426974
2-[3-[Dibenzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide
CID 72203958
2-[3-[Dibenzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium-1-yl]-1-naphthalen-2-ylethanone bromide
CID 72204128
1-Butyl-3-[dibenzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium iodide
CID 72203769
2-[3-[Dibenzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium-1-yl]-1-phenylethanone bromide
CID 72203954
2-[3-[Dibenzofuran-2-yl(phenyl)methyl]benzimidazol-1-ium-1-yl]-1-(4-fluorophenyl)ethanone bromide
CID 72203962
1-Butyl-3-(1-dibenzofuran-2-ylethyl)benzimidazol-1-ium iodide
CID 72205825

Frequently Asked Questions

What is the IUPAC name of 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole (CID 140953219) is 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole is Cn1c(-c2cccc(C(F)c3ccc4c5ccc6oc7ccccc7c6c5n(-c5ccccn5)c4c3)c2)nc2ccccc21.
What is the InChIKey of 10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole?
The InChIKey is RYOAKMTUJZPHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25FN4O/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]benzofuro[3,2-a]carbazole?
10-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-12-pyridin-2-yl-[1]benzofuro[3,2-a]carbazole has a molecular weight of 572.64 g/mol, XLogP of 9.69, 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]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 140953219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).