9H-fluoren-9-yl-[3-(1H-imidazol-5-yl)propyl]carbamic acid

C20H19N3O2 — CID 70248820

IUPAC9H-fluoren-9-yl-[3-(1H-imidazol-5-yl)propyl]carbamic acid
SMILESO=C(O)N(CCCc1cnc[nH]1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H19N3O2/c24-20(25)23(11-5-6-14-12-21-13-22-14)19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,12-13,19H,5-6,11H2,(H,21,22)(H,24,25)
InChIKeyOSFMAYSUTLAYLI-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.09
Rot. Bonds5

About 9H-fluoren-9-yl-[3-(1H-imidazol-5-yl)propyl]carbamic acid

9H-fluoren-9-yl-[3-(1H-imidazol-5-yl)propyl]carbamic acid (PubChem CID 70248820) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 9H-fluoren-9-yl-[3-(1H-imidazol-5-yl)propyl]carbamic acid.

Molecular Properties

Compound Name9H-fluoren-9-yl-[3-(1H-imidazol-5-yl)propyl]carbamic acid
PubChem CID70248820
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name9H-fluoren-9-yl-[3-(1H-imidazol-5-yl)propyl]carbamic acid
SMILESO=C(O)N(CCCc1cnc[nH]1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H19N3O2/c24-20(25)23(11-5-6-14-12-21-13-22-14)19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,12-13,19H,5-6,11H2,(H,21,22)(H,24,25)
InChIKeyOSFMAYSUTLAYLI-UHFFFAOYSA-N
XLogP4.09
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl-[3-(1H-imidazol-5-yl)propyl]carbamic acid?
The IUPAC name of 9H-fluoren-9-yl-[3-(1H-imidazol-5-yl)propyl]carbamic acid (CID 70248820) is 9H-fluoren-9-yl-[3-(1H-imidazol-5-yl)propyl]carbamic acid.
What is the SMILES notation for 9H-fluoren-9-yl-[3-(1H-imidazol-5-yl)propyl]carbamic acid?
The canonical SMILES for 9H-fluoren-9-yl-[3-(1H-imidazol-5-yl)propyl]carbamic acid is O=C(O)N(CCCc1cnc[nH]1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl-[3-(1H-imidazol-5-yl)propyl]carbamic acid?
The InChIKey is OSFMAYSUTLAYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(25)23(11-5-6-14-12-21-13-22-14)19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,12-13,19H,5-6,11H2,(H,21,22)(H,24,25).
What are the key properties of 9H-fluoren-9-yl-[3-(1H-imidazol-5-yl)propyl]carbamic acid?
9H-fluoren-9-yl-[3-(1H-imidazol-5-yl)propyl]carbamic acid has a molecular weight of 333.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl-[3-(1H-imidazol-5-yl)propyl]carbamic acid is sourced from PubChem (CID 70248820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).