(1-methylimidazol-4-yl) N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate

C25H31F3N4O2 — CID 90353603

IUPAC(1-methylimidazol-4-yl) N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCn1cnc(OC(=O)N(Cc2cccc(C(F)(F)F)c2)CC2C3CN(CC4CCCC4)CC32)c1
InChIInChI=1S/C25H31F3N4O2/c1-30-15-23(29-16-30)34-24(33)32(11-18-7-4-8-19(9-18)25(26,27)28)14-22-20-12-31(13-21(20)22)10-17-5-2-3-6-17/h4,7-9,15-17,20-22H,2-3,5-6,10-14H2,1H3
InChIKeyDNEOIDVOKKMRPR-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.81
Rot. Bonds7

About (1-methylimidazol-4-yl) N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate

(1-methylimidazol-4-yl) N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate (PubChem CID 90353603) has the molecular formula C25H31F3N4O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is (1-methylimidazol-4-yl) N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Name(1-methylimidazol-4-yl) N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
PubChem CID90353603
Molecular FormulaC25H31F3N4O2
Molecular Weight476.54 g/mol
Exact Mass476.24
IUPAC Name(1-methylimidazol-4-yl) N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
SMILESCn1cnc(OC(=O)N(Cc2cccc(C(F)(F)F)c2)CC2C3CN(CC4CCCC4)CC32)c1
InChIInChI=1S/C25H31F3N4O2/c1-30-15-23(29-16-30)34-24(33)32(11-18-7-4-8-19(9-18)25(26,27)28)14-22-20-12-31(13-21(20)22)10-17-5-2-3-6-17/h4,7-9,15-17,20-22H,2-3,5-6,10-14H2,1H3
InChIKeyDNEOIDVOKKMRPR-UHFFFAOYSA-N
XLogP4.81
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylimidazol-4-yl) N-[(3-chlorophenyl)methyl]-N-[(3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate
CID 90353687
(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
(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-(naphthalen-2-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]carbamate
CID 90353724
(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
(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
N-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
CID 11952389
(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-propylimidazol-4-yl) N-[(3-chlorophenyl)methyl]-N-[(3-propyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate
CID 90353587
1-[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 69471070
(1-methylimidazol-4-yl) N-[(2,4-dichlorophenyl)methyl]-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate
CID 90353588
N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethyl)benzamide
CID 69471068

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl) N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?
The IUPAC name of (1-methylimidazol-4-yl) N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate (CID 90353603) is (1-methylimidazol-4-yl) N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate.
What is the SMILES notation for (1-methylimidazol-4-yl) N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?
The canonical SMILES for (1-methylimidazol-4-yl) N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate is Cn1cnc(OC(=O)N(Cc2cccc(C(F)(F)F)c2)CC2C3CN(CC4CCCC4)CC32)c1.
What is the InChIKey of (1-methylimidazol-4-yl) N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?
The InChIKey is DNEOIDVOKKMRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N4O2/c1-30-15-23(29-16-30)34-24(33)32(11-18-7-4-8-19(9-18)25(26,27)28)14-22-20-12-31(13-21(20)22)10-17-5-2-3-6-17/h4,7-9,15-17,20-22H,2-3,5-6,10-14H2,1H3.
What are the key properties of (1-methylimidazol-4-yl) N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate?
(1-methylimidazol-4-yl) N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate has a molecular weight of 476.54 g/mol, XLogP of 4.81, 7 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-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate is sourced from PubChem (CID 90353603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).