(9R)-4-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-9H-fluoren-9-amine

C24H21FN4O — CID 67360756

IUPAC(9R)-4-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-9H-fluoren-9-amine
SMILESN[C@@H]1c2ccccc2-c2c(-c3nc4cc(N5CCOCC5)c(F)cc4[nH]3)cccc21
InChIInChI=1S/C24H21FN4O/c25-18-12-19-20(13-21(18)29-8-10-30-11-9-29)28-24(27-19)17-7-3-6-16-22(17)14-4-1-2-5-15(14)23(16)26/h1-7,12-13,23H,8-11,26H2,(H,27,28)/t23-/m1/s1
InChIKeyYQUAGEZBKDDYDD-HSZRJFAPSA-N
MW400.46 g/mol
LogP4.23
Rot. Bonds2

About (9R)-4-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-9H-fluoren-9-amine

(9R)-4-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-9H-fluoren-9-amine (PubChem CID 67360756) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is (9R)-4-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-9H-fluoren-9-amine.

Molecular Properties

Compound Name(9R)-4-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-9H-fluoren-9-amine
PubChem CID67360756
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Name(9R)-4-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-9H-fluoren-9-amine
SMILESN[C@@H]1c2ccccc2-c2c(-c3nc4cc(N5CCOCC5)c(F)cc4[nH]3)cccc21
InChIInChI=1S/C24H21FN4O/c25-18-12-19-20(13-21(18)29-8-10-30-11-9-29)28-24(27-19)17-7-3-6-16-22(17)14-4-1-2-5-15(14)23(16)26/h1-7,12-13,23H,8-11,26H2,(H,27,28)/t23-/m1/s1
InChIKeyYQUAGEZBKDDYDD-HSZRJFAPSA-N
XLogP4.23
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (9R)-4-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-9H-fluoren-9-amine?
The IUPAC name of (9R)-4-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-9H-fluoren-9-amine (CID 67360756) is (9R)-4-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-9H-fluoren-9-amine.
What is the SMILES notation for (9R)-4-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-9H-fluoren-9-amine?
The canonical SMILES for (9R)-4-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-9H-fluoren-9-amine is N[C@@H]1c2ccccc2-c2c(-c3nc4cc(N5CCOCC5)c(F)cc4[nH]3)cccc21.
What is the InChIKey of (9R)-4-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-9H-fluoren-9-amine?
The InChIKey is YQUAGEZBKDDYDD-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H21FN4O/c25-18-12-19-20(13-21(18)29-8-10-30-11-9-29)28-24(27-19)17-7-3-6-16-22(17)14-4-1-2-5-15(14)23(16)26/h1-7,12-13,23H,8-11,26H2,(H,27,28)/t23-/m1/s1.
What are the key properties of (9R)-4-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-9H-fluoren-9-amine?
(9R)-4-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-9H-fluoren-9-amine has a molecular weight of 400.46 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-4-(6-fluoro-5-morpholin-4-yl-1H-benzimidazol-2-yl)-9H-fluoren-9-amine is sourced from PubChem (CID 67360756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).