9H-fluoren-9-ylmethyl N-(1H-imidazol-2-ylmethyl)carbamate

C19H17N3O2 — CID 64531827

IUPAC9H-fluoren-9-ylmethyl N-(1H-imidazol-2-ylmethyl)carbamate
SMILESO=C(NCc1ncc[nH]1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H17N3O2/c23-19(22-11-18-20-9-10-21-18)24-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-10,17H,11-12H2,(H,20,21)(H,22,23)
InChIKeyVARCRUBCOYFHEJ-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.45
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-(1H-imidazol-2-ylmethyl)carbamate

9H-fluoren-9-ylmethyl N-(1H-imidazol-2-ylmethyl)carbamate (PubChem CID 64531827) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(1H-imidazol-2-ylmethyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(1H-imidazol-2-ylmethyl)carbamate
PubChem CID64531827
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name9H-fluoren-9-ylmethyl N-(1H-imidazol-2-ylmethyl)carbamate
SMILESO=C(NCc1ncc[nH]1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H17N3O2/c23-19(22-11-18-20-9-10-21-18)24-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-10,17H,11-12H2,(H,20,21)(H,22,23)
InChIKeyVARCRUBCOYFHEJ-UHFFFAOYSA-N
XLogP3.45
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
O-(9H-fluoren-9-ylmethyl) 1H-imidazole-2-carbothioate
CID 59238025
2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate
CID 53397686
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid
CID 162720748
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
(2S)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-hydroxypropanoic acid
CID 118704938
methyl 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]benzoate
CID 24720878
9H-fluoren-9-ylmethyl N-(4-pyrimidin-2-ylbut-3-ynyl)carbamate
CID 170460133
3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 7005107

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(1H-imidazol-2-ylmethyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(1H-imidazol-2-ylmethyl)carbamate (CID 64531827) is 9H-fluoren-9-ylmethyl N-(1H-imidazol-2-ylmethyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(1H-imidazol-2-ylmethyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(1H-imidazol-2-ylmethyl)carbamate is O=C(NCc1ncc[nH]1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(1H-imidazol-2-ylmethyl)carbamate?
The InChIKey is VARCRUBCOYFHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-19(22-11-18-20-9-10-21-18)24-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-10,17H,11-12H2,(H,20,21)(H,22,23).
What are the key properties of 9H-fluoren-9-ylmethyl N-(1H-imidazol-2-ylmethyl)carbamate?
9H-fluoren-9-ylmethyl N-(1H-imidazol-2-ylmethyl)carbamate has a molecular weight of 319.36 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(1H-imidazol-2-ylmethyl)carbamate is sourced from PubChem (CID 64531827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).