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

C21H16FN3O — CID 67360972

IUPAC(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-amine
SMILESCOc1cc2nc(-c3cccc4c3-c3ccccc3[C@H]4N)[nH]c2cc1F
InChIInChI=1S/C21H16FN3O/c1-26-18-10-17-16(9-15(18)22)24-21(25-17)14-8-4-7-13-19(14)11-5-2-3-6-12(11)20(13)23/h2-10,20H,23H2,1H3,(H,24,25)/t20-/m1/s1
InChIKeySPZCUPXBTYQTNV-HXUWFJFHSA-N
MW345.38 g/mol
LogP4.41
Rot. Bonds2

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

(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-amine (PubChem CID 67360972) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is (9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-amine.

Molecular Properties

Compound Name(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-amine
PubChem CID67360972
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-amine
SMILESCOc1cc2nc(-c3cccc4c3-c3ccccc3[C@H]4N)[nH]c2cc1F
InChIInChI=1S/C21H16FN3O/c1-26-18-10-17-16(9-15(18)22)24-21(25-17)14-8-4-7-13-19(14)11-5-2-3-6-12(11)20(13)23/h2-10,20H,23H2,1H3,(H,24,25)/t20-/m1/s1
InChIKeySPZCUPXBTYQTNV-HXUWFJFHSA-N
XLogP4.41
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-amine?
The IUPAC name of (9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-amine (CID 67360972) is (9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-amine.
What is the SMILES notation for (9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-amine?
The canonical SMILES for (9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-amine is COc1cc2nc(-c3cccc4c3-c3ccccc3[C@H]4N)[nH]c2cc1F.
What is the InChIKey of (9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-amine?
The InChIKey is SPZCUPXBTYQTNV-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H16FN3O/c1-26-18-10-17-16(9-15(18)22)24-21(25-17)14-8-4-7-13-19(14)11-5-2-3-6-12(11)20(13)23/h2-10,20H,23H2,1H3,(H,24,25)/t20-/m1/s1.
What are the key properties of (9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-amine?
(9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-amine has a molecular weight of 345.38 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-4-(6-fluoro-5-methoxy-1H-benzimidazol-2-yl)-9H-fluoren-9-amine is sourced from PubChem (CID 67360972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).