2-fluoranthen-3-yl-1-methylbenzimidazole

C24H16N2 — CID 121287547

IUPAC2-fluoranthen-3-yl-1-methylbenzimidazole
SMILESCn1c(-c2ccc3c4c(cccc24)-c2ccccc2-3)nc2ccccc21
InChIInChI=1S/C24H16N2/c1-26-22-12-5-4-11-21(22)25-24(26)20-14-13-19-16-8-3-2-7-15(16)17-9-6-10-18(20)23(17)19/h2-14H,1H3
InChIKeyILFLAADIWAAHHE-UHFFFAOYSA-N
MW332.41 g/mol
LogP6.04
Rot. Bonds1

About 2-fluoranthen-3-yl-1-methylbenzimidazole

2-fluoranthen-3-yl-1-methylbenzimidazole (PubChem CID 121287547) has the molecular formula C24H16N2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-fluoranthen-3-yl-1-methylbenzimidazole.

Molecular Properties

Compound Name2-fluoranthen-3-yl-1-methylbenzimidazole
PubChem CID121287547
Molecular FormulaC24H16N2
Molecular Weight332.41 g/mol
Exact Mass332.13
IUPAC Name2-fluoranthen-3-yl-1-methylbenzimidazole
SMILESCn1c(-c2ccc3c4c(cccc24)-c2ccccc2-3)nc2ccccc21
InChIInChI=1S/C24H16N2/c1-26-22-12-5-4-11-21(22)25-24(26)20-14-13-19-16-8-3-2-7-15(16)17-9-6-10-18(20)23(17)19/h2-14H,1H3
InChIKeyILFLAADIWAAHHE-UHFFFAOYSA-N
XLogP6.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 137458526
2-(1-methylbenzimidazol-2-yl)phenol
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5-fluoranthen-3-yl-1,2-diphenylbenzimidazole;5-fluoranthen-3-yl-1-methyl-2-phenylbenzimidazole;1-fluoranthen-3-yl-2-phenylbenzimidazole;2-fluoranthen-3-yl-1-phenylbenzimidazole;5-(3-fluoranthen-3-ylphenyl)-1-methyl-2-phenylbenzimidazole;5-(4-fluoranthen-3-ylphenyl)-1-methyl-2-phenylbenzimidazole
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1-(6-fluoranthen-3-yl-2-pyridinyl)-2-phenylbenzimidazole
CID 67891713
2-ethyl-1-[2-(10-fluoranthen-3-ylanthracen-9-yl)phenyl]benzimidazole
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2-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-1-methylbenzimidazole
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Frequently Asked Questions

What is the IUPAC name of 2-fluoranthen-3-yl-1-methylbenzimidazole?
The IUPAC name of 2-fluoranthen-3-yl-1-methylbenzimidazole (CID 121287547) is 2-fluoranthen-3-yl-1-methylbenzimidazole.
What is the SMILES notation for 2-fluoranthen-3-yl-1-methylbenzimidazole?
The canonical SMILES for 2-fluoranthen-3-yl-1-methylbenzimidazole is Cn1c(-c2ccc3c4c(cccc24)-c2ccccc2-3)nc2ccccc21.
What is the InChIKey of 2-fluoranthen-3-yl-1-methylbenzimidazole?
The InChIKey is ILFLAADIWAAHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2/c1-26-22-12-5-4-11-21(22)25-24(26)20-14-13-19-16-8-3-2-7-15(16)17-9-6-10-18(20)23(17)19/h2-14H,1H3.
What are the key properties of 2-fluoranthen-3-yl-1-methylbenzimidazole?
2-fluoranthen-3-yl-1-methylbenzimidazole has a molecular weight of 332.41 g/mol, XLogP of 6.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoranthen-3-yl-1-methylbenzimidazole is sourced from PubChem (CID 121287547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).