(1-methylimidazol-4-yl) N-[(3-chlorophenyl)methyl]-N-[(3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate

C20H25ClN4O2 — CID 90353687

IUPAC(1-methylimidazol-4-yl) N-[(3-chlorophenyl)methyl]-N-[(3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate
SMILESCCN1CC2C(C1)C2CN(Cc1cccc(Cl)c1)C(=O)Oc1cn(C)cn1
InChIInChI=1S/C20H25ClN4O2/c1-3-24-9-16-17(10-24)18(16)11-25(8-14-5-4-6-15(21)7-14)20(26)27-19-12-23(2)13-22-19/h4-7,12-13,16-18H,3,8-11H2,1-2H3
InChIKeyRWWJLTOFBMDHRE-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.27
Rot. Bonds6

About (1-methylimidazol-4-yl) N-[(3-chlorophenyl)methyl]-N-[(3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate

(1-methylimidazol-4-yl) N-[(3-chlorophenyl)methyl]-N-[(3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate (PubChem CID 90353687) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is (1-methylimidazol-4-yl) N-[(3-chlorophenyl)methyl]-N-[(3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate.

Molecular Properties

Compound Name(1-methylimidazol-4-yl) N-[(3-chlorophenyl)methyl]-N-[(3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate
PubChem CID90353687
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name(1-methylimidazol-4-yl) N-[(3-chlorophenyl)methyl]-N-[(3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate
SMILESCCN1CC2C(C1)C2CN(Cc1cccc(Cl)c1)C(=O)Oc1cn(C)cn1
InChIInChI=1S/C20H25ClN4O2/c1-3-24-9-16-17(10-24)18(16)11-25(8-14-5-4-6-15(21)7-14)20(26)27-19-12-23(2)13-22-19/h4-7,12-13,16-18H,3,8-11H2,1-2H3
InChIKeyRWWJLTOFBMDHRE-UHFFFAOYSA-N
XLogP3.27
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-propylimidazol-4-yl) N-[(3-chlorophenyl)methyl]-N-[(3-propyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate
CID 90353587
(1-methylimidazol-4-yl) N-[(3-chloro-4-fluorophenyl)methyl]-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate
CID 90353657
(1-methylimidazol-4-yl) N-[(2,4-dichlorophenyl)methyl]-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate
CID 90353588
(1-methylimidazol-4-yl) N-[[3-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]carbamate
CID 90353691
(5-chloro-2-pyridinyl) N-[(3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]carbamate
CID 90353466
(1-methylimidazol-4-yl) N-[[3-[2-(3,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]carbamate
CID 90353576
(1-methylimidazol-4-yl) N-[[3-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]carbamate
CID 90353393
(1-methylimidazol-4-yl) N-[[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]carbamate
CID 90353559
(1-methylimidazol-4-yl) N-[[3-(1,3-benzodioxol-4-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]carbamate
CID 90353629
(2-methyl-1H-imidazol-5-yl) N-[(3-chlorophenyl)methyl]-N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
CID 90353448
(1-methylimidazol-4-yl) N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-N-[(2,3-dichlorophenyl)methyl]carbamate
CID 90353671
1,3-thiazol-4-yl N-[[3-[(3-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]carbamate
CID 90353546

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl) N-[(3-chlorophenyl)methyl]-N-[(3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate?
The IUPAC name of (1-methylimidazol-4-yl) N-[(3-chlorophenyl)methyl]-N-[(3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate (CID 90353687) is (1-methylimidazol-4-yl) N-[(3-chlorophenyl)methyl]-N-[(3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate.
What is the SMILES notation for (1-methylimidazol-4-yl) N-[(3-chlorophenyl)methyl]-N-[(3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate?
The canonical SMILES for (1-methylimidazol-4-yl) N-[(3-chlorophenyl)methyl]-N-[(3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate is CCN1CC2C(C1)C2CN(Cc1cccc(Cl)c1)C(=O)Oc1cn(C)cn1.
What is the InChIKey of (1-methylimidazol-4-yl) N-[(3-chlorophenyl)methyl]-N-[(3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate?
The InChIKey is RWWJLTOFBMDHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-3-24-9-16-17(10-24)18(16)11-25(8-14-5-4-6-15(21)7-14)20(26)27-19-12-23(2)13-22-19/h4-7,12-13,16-18H,3,8-11H2,1-2H3.
What are the key properties of (1-methylimidazol-4-yl) N-[(3-chlorophenyl)methyl]-N-[(3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate?
(1-methylimidazol-4-yl) N-[(3-chlorophenyl)methyl]-N-[(3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate has a molecular weight of 388.90 g/mol, XLogP of 3.27, 6 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-[(3-chlorophenyl)methyl]-N-[(3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate is sourced from PubChem (CID 90353687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).