benzyl(imidazolidin-4-yl)carbamic acid

C11H15N3O2 — CID 175201418

IUPACbenzyl(imidazolidin-4-yl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)C1CNCN1
InChIInChI=1S/C11H15N3O2/c15-11(16)14(10-6-12-8-13-10)7-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,15,16)
InChIKeyNEFFDLFQSBNNRR-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.64
Rot. Bonds3

About benzyl(imidazolidin-4-yl)carbamic acid

benzyl(imidazolidin-4-yl)carbamic acid (PubChem CID 175201418) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is benzyl(imidazolidin-4-yl)carbamic acid.

Molecular Properties

Compound Namebenzyl(imidazolidin-4-yl)carbamic acid
PubChem CID175201418
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Namebenzyl(imidazolidin-4-yl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)C1CNCN1
InChIInChI=1S/C11H15N3O2/c15-11(16)14(10-6-12-8-13-10)7-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,15,16)
InChIKeyNEFFDLFQSBNNRR-UHFFFAOYSA-N
XLogP0.64
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl(piperidin-4-yl)carbamic acid
CID 54298382
benzyl-[(3R,5S)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamic acid
CID 66604785
N-benzyl-N-(4-hydroxycyclohexyl)carbamate
CID 91827888
N-benzyl-N-cyclopropyl-2-piperidin-4-ylacetamide
CID 61030052
benzyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid
CID 175352896
N-benzyl-N-cyclopropylpiperidine-2-carboxamide
CID 43579225
benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid
CID 168862112
benzyl-(5-oxooxolan-3-yl)carbamic acid
CID 53414136
N-benzyl-N-cyclopropylprop-2-enamide
CID 43616578
[(1S,2S)-2-aminocyclohexyl]-benzylcarbamic acid
CID 91447786
N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
CID 55549162
(2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
CID 120619878

Frequently Asked Questions

What is the IUPAC name of benzyl(imidazolidin-4-yl)carbamic acid?
The IUPAC name of benzyl(imidazolidin-4-yl)carbamic acid (CID 175201418) is benzyl(imidazolidin-4-yl)carbamic acid.
What is the SMILES notation for benzyl(imidazolidin-4-yl)carbamic acid?
The canonical SMILES for benzyl(imidazolidin-4-yl)carbamic acid is O=C(O)N(Cc1ccccc1)C1CNCN1.
What is the InChIKey of benzyl(imidazolidin-4-yl)carbamic acid?
The InChIKey is NEFFDLFQSBNNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(16)14(10-6-12-8-13-10)7-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2,(H,15,16).
What are the key properties of benzyl(imidazolidin-4-yl)carbamic acid?
benzyl(imidazolidin-4-yl)carbamic acid has a molecular weight of 221.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(imidazolidin-4-yl)carbamic acid is sourced from PubChem (CID 175201418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).