2-(9H-fluoren-4-yl)-6-fluoro-1H-benzimidazole-5-carbonitrile

C21H12FN3 — CID 142778532

IUPAC2-(9H-fluoren-4-yl)-6-fluoro-1H-benzimidazole-5-carbonitrile
SMILESN#Cc1cc2nc(-c3cccc4c3-c3ccccc3C4)[nH]c2cc1F
InChIInChI=1S/C21H12FN3/c22-17-10-19-18(9-14(17)11-23)24-21(25-19)16-7-3-5-13-8-12-4-1-2-6-15(12)20(13)16/h1-7,9-10H,8H2,(H,24,25)
InChIKeyLLWKSXDKSDNLFR-UHFFFAOYSA-N
MW325.35 g/mol
LogP4.81
Rot. Bonds1

About 2-(9H-fluoren-4-yl)-6-fluoro-1H-benzimidazole-5-carbonitrile

2-(9H-fluoren-4-yl)-6-fluoro-1H-benzimidazole-5-carbonitrile (PubChem CID 142778532) has the molecular formula C21H12FN3 and a molecular weight of 325.35 g/mol. Its IUPAC name is 2-(9H-fluoren-4-yl)-6-fluoro-1H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(9H-fluoren-4-yl)-6-fluoro-1H-benzimidazole-5-carbonitrile
PubChem CID142778532
Molecular FormulaC21H12FN3
Molecular Weight325.35 g/mol
Exact Mass325.10
IUPAC Name2-(9H-fluoren-4-yl)-6-fluoro-1H-benzimidazole-5-carbonitrile
SMILESN#Cc1cc2nc(-c3cccc4c3-c3ccccc3C4)[nH]c2cc1F
InChIInChI=1S/C21H12FN3/c22-17-10-19-18(9-14(17)11-23)24-21(25-19)16-7-3-5-13-8-12-4-1-2-6-15(12)20(13)16/h1-7,9-10H,8H2,(H,24,25)
InChIKeyLLWKSXDKSDNLFR-UHFFFAOYSA-N
XLogP4.81
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine
CID 59208225
5-(5,6-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 104557785
2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004256
[2-(9H-fluoren-4-yl)-3H-benzimidazol-5-yl] 4-(dimethylamino)butanoate
CID 140546287
3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928229
4-(2,3,4-trifluorophenyl)-9H-fluorene
CID 174548890
2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline
CID 107049774
5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 82004589
2-[4-[3-(aminomethyl)azetidin-1-yl]-5-(3-fluoro-5-methylphenyl)-3-pyridinyl]-6-fluoro-1H-benzimidazole-5-carbonitrile
CID 139392834
(9R)-4-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-9H-fluoren-9-amine
CID 67360756
(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-amine
CID 67360972
2,4-difluoro-9H-fluorene
CID 19773988

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-4-yl)-6-fluoro-1H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(9H-fluoren-4-yl)-6-fluoro-1H-benzimidazole-5-carbonitrile (CID 142778532) is 2-(9H-fluoren-4-yl)-6-fluoro-1H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(9H-fluoren-4-yl)-6-fluoro-1H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(9H-fluoren-4-yl)-6-fluoro-1H-benzimidazole-5-carbonitrile is N#Cc1cc2nc(-c3cccc4c3-c3ccccc3C4)[nH]c2cc1F.
What is the InChIKey of 2-(9H-fluoren-4-yl)-6-fluoro-1H-benzimidazole-5-carbonitrile?
The InChIKey is LLWKSXDKSDNLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FN3/c22-17-10-19-18(9-14(17)11-23)24-21(25-19)16-7-3-5-13-8-12-4-1-2-6-15(12)20(13)16/h1-7,9-10H,8H2,(H,24,25).
What are the key properties of 2-(9H-fluoren-4-yl)-6-fluoro-1H-benzimidazole-5-carbonitrile?
2-(9H-fluoren-4-yl)-6-fluoro-1H-benzimidazole-5-carbonitrile has a molecular weight of 325.35 g/mol, XLogP of 4.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-4-yl)-6-fluoro-1H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 142778532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).