(1-methylimidazol-4-yl) N-[(2,4-dichlorophenyl)methyl]-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate

C19H22Cl2N4O2 — CID 90353588

IUPAC(1-methylimidazol-4-yl) N-[(2,4-dichlorophenyl)methyl]-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate
SMILESCN1CC2C(C1)C2CN(Cc1ccc(Cl)cc1Cl)C(=O)Oc1cn(C)cn1
InChIInChI=1S/C19H22Cl2N4O2/c1-23-7-14-15(8-23)16(14)9-25(6-12-3-4-13(20)5-17(12)21)19(26)27-18-10-24(2)11-22-18/h3-5,10-11,14-16H,6-9H2,1-2H3
InChIKeyLDOONUCYXOABAD-UHFFFAOYSA-N
MW409.32 g/mol
LogP3.54
Rot. Bonds5

About (1-methylimidazol-4-yl) N-[(2,4-dichlorophenyl)methyl]-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate

(1-methylimidazol-4-yl) N-[(2,4-dichlorophenyl)methyl]-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate (PubChem CID 90353588) has the molecular formula C19H22Cl2N4O2 and a molecular weight of 409.32 g/mol. Its IUPAC name is (1-methylimidazol-4-yl) N-[(2,4-dichlorophenyl)methyl]-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate.

Molecular Properties

Compound Name(1-methylimidazol-4-yl) N-[(2,4-dichlorophenyl)methyl]-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate
PubChem CID90353588
Molecular FormulaC19H22Cl2N4O2
Molecular Weight409.32 g/mol
Exact Mass408.11
IUPAC Name(1-methylimidazol-4-yl) N-[(2,4-dichlorophenyl)methyl]-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate
SMILESCN1CC2C(C1)C2CN(Cc1ccc(Cl)cc1Cl)C(=O)Oc1cn(C)cn1
InChIInChI=1S/C19H22Cl2N4O2/c1-23-7-14-15(8-23)16(14)9-25(6-12-3-4-13(20)5-17(12)21)19(26)27-18-10-24(2)11-22-18/h3-5,10-11,14-16H,6-9H2,1-2H3
InChIKeyLDOONUCYXOABAD-UHFFFAOYSA-N
XLogP3.54
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylimidazol-4-yl) N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[(2,3-dichlorophenyl)methyl]carbamate
CID 90353671
(1-methylimidazol-4-yl) N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[2-(4-chlorophenyl)ethyl]carbamate
CID 90353493
pyridin-2-yl N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]carbamate
CID 90353269
N-[(2,4-dichlorophenyl)methyl]-5-methoxy-N,1,3-trimethylpyrazole-4-carboxamide
CID 75370941
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
N-[(2,4-dichlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
CID 40871167
N-[(2,4-dichlorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40871171
N-[(2,4-dichlorophenyl)methyl]-2,2-dimethylpropanehydrazide
CID 178067840
N-[(2,4-dichlorophenyl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
CID 167972061
2-(4-bromophenoxy)-N-[(2,4-dichlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40871759
tert-butyl N-[(3S,4S)-1-(5-bromopyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N-[(2,4-dichlorophenyl)methyl]carbamate
CID 66856364
2-[carboxymethyl-[(2,4-dichlorophenyl)methyl]amino]acetic acid
CID 55246702

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl) N-[(2,4-dichlorophenyl)methyl]-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate?
The IUPAC name of (1-methylimidazol-4-yl) N-[(2,4-dichlorophenyl)methyl]-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate (CID 90353588) is (1-methylimidazol-4-yl) N-[(2,4-dichlorophenyl)methyl]-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate.
What is the SMILES notation for (1-methylimidazol-4-yl) N-[(2,4-dichlorophenyl)methyl]-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate?
The canonical SMILES for (1-methylimidazol-4-yl) N-[(2,4-dichlorophenyl)methyl]-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate is CN1CC2C(C1)C2CN(Cc1ccc(Cl)cc1Cl)C(=O)Oc1cn(C)cn1.
What is the InChIKey of (1-methylimidazol-4-yl) N-[(2,4-dichlorophenyl)methyl]-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate?
The InChIKey is LDOONUCYXOABAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O2/c1-23-7-14-15(8-23)16(14)9-25(6-12-3-4-13(20)5-17(12)21)19(26)27-18-10-24(2)11-22-18/h3-5,10-11,14-16H,6-9H2,1-2H3.
What are the key properties of (1-methylimidazol-4-yl) N-[(2,4-dichlorophenyl)methyl]-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate?
(1-methylimidazol-4-yl) N-[(2,4-dichlorophenyl)methyl]-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate has a molecular weight of 409.32 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl) N-[(2,4-dichlorophenyl)methyl]-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate is sourced from PubChem (CID 90353588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).