benzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate

C16H20N4O2 — CID 103393516

IUPACbenzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate
SMILESO=C(NC1CC(NCc2cnc[nH]2)C1)OCc1ccccc1
InChIInChI=1S/C16H20N4O2/c21-16(22-10-12-4-2-1-3-5-12)20-14-6-13(7-14)18-9-15-8-17-11-19-15/h1-5,8,11,13-14,18H,6-7,9-10H2,(H,17,19)(H,20,21)
InChIKeyRLUWMFNVWZDSFD-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.96
Rot. Bonds6

About benzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate

benzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate (PubChem CID 103393516) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is benzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate
PubChem CID103393516
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Namebenzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate
SMILESO=C(NC1CC(NCc2cnc[nH]2)C1)OCc1ccccc1
InChIInChI=1S/C16H20N4O2/c21-16(22-10-12-4-2-1-3-5-12)20-14-6-13(7-14)18-9-15-8-17-11-19-15/h1-5,8,11,13-14,18H,6-7,9-10H2,(H,17,19)(H,20,21)
InChIKeyRLUWMFNVWZDSFD-UHFFFAOYSA-N
XLogP1.96
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 103393812
benzyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclobutyl]carbamate
CID 103393285
benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate
CID 103392944
benzyl N-[(1R,2R)-2-(1H-imidazol-5-yl)cyclopropyl]carbamate
CID 18395376
benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate
CID 103392992
benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate
CID 103393345
benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate
CID 103392905
benzyl N-[3-[(5-bromothiophen-2-yl)methylamino]cyclobutyl]carbamate
CID 103393251
benzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate
CID 103393456
benzyl N-[3-[2-(4-fluorophenyl)ethylamino]cyclobutyl]carbamate
CID 103392750
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate (CID 103393516) is benzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate is O=C(NC1CC(NCc2cnc[nH]2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate?
The InChIKey is RLUWMFNVWZDSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(22-10-12-4-2-1-3-5-12)20-14-6-13(7-14)18-9-15-8-17-11-19-15/h1-5,8,11,13-14,18H,6-7,9-10H2,(H,17,19)(H,20,21).
What are the key properties of benzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate?
benzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate has a molecular weight of 300.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(1H-imidazol-5-ylmethylamino)cyclobutyl]carbamate is sourced from PubChem (CID 103393516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).