7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole

C41H31FN4O — CID 140952235

IUPAC7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole
SMILESCn1c(-c2cccc(C(F)c3cc4c(c5c3C(C)(C)c3ccccc3O5)c3ccccc3n4-c3ccccn3)c2)nc2ccccc21
InChIInChI=1S/C41H31FN4O/c1-41(2)29-16-5-9-20-34(29)47-39-36-27-15-4-7-18-31(27)46(35-21-10-11-22-43-35)33(36)24-28(37(39)41)38(42)25-13-12-14-26(23-25)40-44-30-17-6-8-19-32(30)45(40)3/h4-24,38H,1-3H3
InChIKeyHTYGMOUUBDQWKI-UHFFFAOYSA-N
MW614.72 g/mol
LogP10.22
Rot. Bonds4

About 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole

7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole (PubChem CID 140952235) has the molecular formula C41H31FN4O and a molecular weight of 614.72 g/mol. Its IUPAC name is 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole.

Molecular Properties

Compound Name7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole
PubChem CID140952235
Molecular FormulaC41H31FN4O
Molecular Weight614.72 g/mol
Exact Mass614.25
IUPAC Name7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole
SMILESCn1c(-c2cccc(C(F)c3cc4c(c5c3C(C)(C)c3ccccc3O5)c3ccccc3n4-c3ccccn3)c2)nc2ccccc21
InChIInChI=1S/C41H31FN4O/c1-41(2)29-16-5-9-20-34(29)47-39-36-27-15-4-7-18-31(27)46(35-21-10-11-22-43-35)33(36)24-28(37(39)41)38(42)25-13-12-14-26(23-25)40-44-30-17-6-8-19-32(30)45(40)3/h4-24,38H,1-3H3
InChIKeyHTYGMOUUBDQWKI-UHFFFAOYSA-N
XLogP10.22
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.72
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole with MolForge

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Related Compounds

6H-Pyrido(4,3-b)carbazol-1-amine, N-(3-(1H-imidazol-1-yl)propyl)-9-methoxy-5-methyl-
CID 153594
N-(3-tert-butylphenyl)-1-methyl-5-[[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-amine
CID 16064748
(4R)-4-[(1R)-1-[7-(1,2-dimethylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241974
6-(3-Ethoxyphenyl)-3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazine
CID 155548166
6-(2-Fluoro-3-methoxyphenyl)-3-(1-methylindol-5-yl)imidazo[1,2-a]pyrazine
CID 155552901
6-[6-(3-Ethoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]quinoline
CID 155554084
1-(1,4-Dimethoxynaphthalen-2-yl)-5-methoxy-2-pyridin-3-ylbenzo[e]benzimidazole
CID 71480756
2-[[2-[(1R)-2,2-dimethylcyclopropyl]-1-[[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methyl]benzimidazol-5-yl]oxymethyl]quinoline
CID 90440786
(5-Methoxy-7-methylpyridino[4,3-c]carbazolyl)(2-piperidylethyl)amine
CID 471285
10,10-Dimethyl-4-pyridin-2-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene
CID 11209683
10,10-Dimethyl-4-pyridin-3-yl-11-oxa-3,5-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaene
CID 11209684
3-[1-(Isoquinolin-6-ylmethyl)-5-(quinolin-2-ylmethoxy)benzimidazol-2-yl]-2,2-dimethylpropanoic acid
CID 90414837

Frequently Asked Questions

What is the IUPAC name of 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole?
The IUPAC name of 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole (CID 140952235) is 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole.
What is the SMILES notation for 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole?
The canonical SMILES for 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole is Cn1c(-c2cccc(C(F)c3cc4c(c5c3C(C)(C)c3ccccc3O5)c3ccccc3n4-c3ccccn3)c2)nc2ccccc21.
What is the InChIKey of 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole?
The InChIKey is HTYGMOUUBDQWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31FN4O/c1-41(2)29-16-5-9-20-34(29)47-39-36-27-15-4-7-18-31(27)46(35-21-10-11-22-43-35)33(36)24-28(37(39)41)38(42)25-13-12-14-26(23-25)40-44-30-17-6-8-19-32(30)45(40)3/h4-24,38H,1-3H3.
What are the key properties of 7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole?
7-[fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole has a molecular weight of 614.72 g/mol, XLogP of 10.22, 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]-8,8-dimethyl-5-pyridin-2-ylchromeno[3,2-c]carbazole is sourced from PubChem (CID 140952235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).