benzyl carbamate;trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropan-1-amine

C33H32N4O2 — CID 67573634

IUPACbenzyl carbamate;trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropan-1-amine
SMILESNC(=O)OCc1ccccc1.N[C@@H]1C[C@H]1c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H23N3.C8H9NO2/c26-23-16-22(23)24-17-28(18-27-24)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;9-8(10)11-6-7-4-2-1-3-5-7/h1-15,17-18,22-23H,16,26H2;1-5H,6H2,(H2,9,10)/t22-,23-;/m1./s1
InChIKeyUHPXZZCRGPELTD-OHIDFYLOSA-N
MW516.65 g/mol
LogP5.82
Rot. Bonds7

About benzyl carbamate;trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropan-1-amine

benzyl carbamate;trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropan-1-amine (PubChem CID 67573634) has the molecular formula C33H32N4O2 and a molecular weight of 516.65 g/mol. Its IUPAC name is benzyl carbamate;trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Namebenzyl carbamate;trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropan-1-amine
PubChem CID67573634
Molecular FormulaC33H32N4O2
Molecular Weight516.65 g/mol
Exact Mass516.25
IUPAC Namebenzyl carbamate;trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropan-1-amine
SMILESNC(=O)OCc1ccccc1.N[C@@H]1C[C@H]1c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C25H23N3.C8H9NO2/c26-23-16-22(23)24-17-28(18-27-24)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;9-8(10)11-6-7-4-2-1-3-5-7/h1-15,17-18,22-23H,16,26H2;1-5H,6H2,(H2,9,10)/t22-,23-;/m1./s1
InChIKeyUHPXZZCRGPELTD-OHIDFYLOSA-N
XLogP5.82
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carboxylic acid
CID 10938090
trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropane-1-carbonyl azide
CID 11825927
benzyl (2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoate
CID 102137905
benzyl carbamate;heptahydrochloride
CID 141351835
benzyl 3-oxo-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 146026710
methyl (Z)-2-(phenylmethoxycarbonylamino)-3-(1-tritylimidazol-4-yl)prop-2-enoate
CID 10951677
benzyl N-[N-phenylmethoxycarbonyl-N'-[2-(1-tritylimidazol-4-yl)ethyl]carbamimidoyl]carbamate
CID 25149517
benzyl 1-tritylaziridine-2-carboxylate
CID 13191985
1-tritylimidazole-4-carboxylic acid
CID 10570117
benzyl (2S,3S,5R)-3-hydroxy-2,5-dimethylpyrrolidine-1-carboxylate
CID 59273085
benzyl (2R,3S)-3-amino-2-methylazetidine-1-carboxylate
CID 170915415
benzyl (5S)-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 91663906

Frequently Asked Questions

What is the IUPAC name of benzyl carbamate;trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropan-1-amine?
The IUPAC name of benzyl carbamate;trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropan-1-amine (CID 67573634) is benzyl carbamate;trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for benzyl carbamate;trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropan-1-amine?
The canonical SMILES for benzyl carbamate;trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropan-1-amine is NC(=O)OCc1ccccc1.N[C@@H]1C[C@H]1c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of benzyl carbamate;trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropan-1-amine?
The InChIKey is UHPXZZCRGPELTD-OHIDFYLOSA-N. The full InChI is InChI=1S/C25H23N3.C8H9NO2/c26-23-16-22(23)24-17-28(18-27-24)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;9-8(10)11-6-7-4-2-1-3-5-7/h1-15,17-18,22-23H,16,26H2;1-5H,6H2,(H2,9,10)/t22-,23-;/m1./s1.
What are the key properties of benzyl carbamate;trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropan-1-amine?
benzyl carbamate;trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropan-1-amine has a molecular weight of 516.65 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl carbamate;trans-(1R,2R)-2-(1-tritylimidazol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 67573634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).