1-cyclopentyl-6-[(Z)-1-(2-fluorophenyl)-3-nitrosoprop-1-enyl]benzimidazol-2-amine

C21H21FN4O — CID 142073924

IUPAC1-cyclopentyl-6-[(Z)-1-(2-fluorophenyl)-3-nitrosoprop-1-enyl]benzimidazol-2-amine
SMILESNc1nc2ccc(/C(=C/CN=O)c3ccccc3F)cc2n1C1CCCC1
InChIInChI=1S/C21H21FN4O/c22-18-8-4-3-7-17(18)16(11-12-24-27)14-9-10-19-20(13-14)26(21(23)25-19)15-5-1-2-6-15/h3-4,7-11,13,15H,1-2,5-6,12H2,(H2,23,25)/b16-11-
InChIKeyPBJRPRNMWREXOV-WJDWOHSUSA-N
MW364.42 g/mol
LogP5.07
Rot. Bonds5

About 1-cyclopentyl-6-[(Z)-1-(2-fluorophenyl)-3-nitrosoprop-1-enyl]benzimidazol-2-amine

1-cyclopentyl-6-[(Z)-1-(2-fluorophenyl)-3-nitrosoprop-1-enyl]benzimidazol-2-amine (PubChem CID 142073924) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 1-cyclopentyl-6-[(Z)-1-(2-fluorophenyl)-3-nitrosoprop-1-enyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-6-[(Z)-1-(2-fluorophenyl)-3-nitrosoprop-1-enyl]benzimidazol-2-amine
PubChem CID142073924
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name1-cyclopentyl-6-[(Z)-1-(2-fluorophenyl)-3-nitrosoprop-1-enyl]benzimidazol-2-amine
SMILESNc1nc2ccc(/C(=C/CN=O)c3ccccc3F)cc2n1C1CCCC1
InChIInChI=1S/C21H21FN4O/c22-18-8-4-3-7-17(18)16(11-12-24-27)14-9-10-19-20(13-14)26(21(23)25-19)15-5-1-2-6-15/h3-4,7-11,13,15H,1-2,5-6,12H2,(H2,23,25)/b16-11-
InChIKeyPBJRPRNMWREXOV-WJDWOHSUSA-N
XLogP5.07
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-[(Z)-1-(2-fluorophenyl)-3-nitrosoprop-1-enyl]benzimidazol-2-amine?
The IUPAC name of 1-cyclopentyl-6-[(Z)-1-(2-fluorophenyl)-3-nitrosoprop-1-enyl]benzimidazol-2-amine (CID 142073924) is 1-cyclopentyl-6-[(Z)-1-(2-fluorophenyl)-3-nitrosoprop-1-enyl]benzimidazol-2-amine.
What is the SMILES notation for 1-cyclopentyl-6-[(Z)-1-(2-fluorophenyl)-3-nitrosoprop-1-enyl]benzimidazol-2-amine?
The canonical SMILES for 1-cyclopentyl-6-[(Z)-1-(2-fluorophenyl)-3-nitrosoprop-1-enyl]benzimidazol-2-amine is Nc1nc2ccc(/C(=C/CN=O)c3ccccc3F)cc2n1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-6-[(Z)-1-(2-fluorophenyl)-3-nitrosoprop-1-enyl]benzimidazol-2-amine?
The InChIKey is PBJRPRNMWREXOV-WJDWOHSUSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-18-8-4-3-7-17(18)16(11-12-24-27)14-9-10-19-20(13-14)26(21(23)25-19)15-5-1-2-6-15/h3-4,7-11,13,15H,1-2,5-6,12H2,(H2,23,25)/b16-11-.
What are the key properties of 1-cyclopentyl-6-[(Z)-1-(2-fluorophenyl)-3-nitrosoprop-1-enyl]benzimidazol-2-amine?
1-cyclopentyl-6-[(Z)-1-(2-fluorophenyl)-3-nitrosoprop-1-enyl]benzimidazol-2-amine has a molecular weight of 364.42 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-[(Z)-1-(2-fluorophenyl)-3-nitrosoprop-1-enyl]benzimidazol-2-amine is sourced from PubChem (CID 142073924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).