2-(9-amino-9H-fluoren-4-yl)-3H-benzimidazole-5-carbonitrile

C21H14N4 — CID 67361069

IUPAC2-(9-amino-9H-fluoren-4-yl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cccc4c3-c3ccccc3C4N)[nH]c2c1
InChIInChI=1S/C21H14N4/c22-11-12-8-9-17-18(10-12)25-21(24-17)16-7-3-6-15-19(16)13-4-1-2-5-14(13)20(15)23/h1-10,20H,23H2,(H,24,25)
InChIKeyDAEJILNIOCGPRS-UHFFFAOYSA-N
MW322.37 g/mol
LogP4.13
Rot. Bonds1

About 2-(9-amino-9H-fluoren-4-yl)-3H-benzimidazole-5-carbonitrile

2-(9-amino-9H-fluoren-4-yl)-3H-benzimidazole-5-carbonitrile (PubChem CID 67361069) has the molecular formula C21H14N4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(9-amino-9H-fluoren-4-yl)-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(9-amino-9H-fluoren-4-yl)-3H-benzimidazole-5-carbonitrile
PubChem CID67361069
Molecular FormulaC21H14N4
Molecular Weight322.37 g/mol
Exact Mass322.12
IUPAC Name2-(9-amino-9H-fluoren-4-yl)-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cccc4c3-c3ccccc3C4N)[nH]c2c1
InChIInChI=1S/C21H14N4/c22-11-12-8-9-17-18(10-12)25-21(24-17)16-7-3-6-15-19(16)13-4-1-2-5-14(13)20(15)23/h1-10,20H,23H2,(H,24,25)
InChIKeyDAEJILNIOCGPRS-UHFFFAOYSA-N
XLogP4.13
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004256
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908144
(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-amine
CID 67360972
2-(9-amino-9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 68686481
5-(1H-benzimidazol-2-yl)-9-oxofluorene-2-carbonitrile
CID 67359937
(9R)-4-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-9H-fluoren-9-amine
CID 67360756
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
2-[(9R)-9-carbamoyl-9H-fluoren-4-yl]-3H-benzimidazole-5-carboxylic acid
CID 67359577
2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile
CID 69437638
2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile
CID 79004134
3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile
CID 168554018
2-(2,5-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004183

Frequently Asked Questions

What is the IUPAC name of 2-(9-amino-9H-fluoren-4-yl)-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-(9-amino-9H-fluoren-4-yl)-3H-benzimidazole-5-carbonitrile (CID 67361069) is 2-(9-amino-9H-fluoren-4-yl)-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(9-amino-9H-fluoren-4-yl)-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-(9-amino-9H-fluoren-4-yl)-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(-c3cccc4c3-c3ccccc3C4N)[nH]c2c1.
What is the InChIKey of 2-(9-amino-9H-fluoren-4-yl)-3H-benzimidazole-5-carbonitrile?
The InChIKey is DAEJILNIOCGPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4/c22-11-12-8-9-17-18(10-12)25-21(24-17)16-7-3-6-15-19(16)13-4-1-2-5-14(13)20(15)23/h1-10,20H,23H2,(H,24,25).
What are the key properties of 2-(9-amino-9H-fluoren-4-yl)-3H-benzimidazole-5-carbonitrile?
2-(9-amino-9H-fluoren-4-yl)-3H-benzimidazole-5-carbonitrile has a molecular weight of 322.37 g/mol, XLogP of 4.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-amino-9H-fluoren-4-yl)-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 67361069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).