(2-methyl-1H-imidazol-5-yl) N-[(3-chlorophenyl)methyl]-N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate

C24H31ClN4O2 — CID 90353448

IUPAC(2-methyl-1H-imidazol-5-yl) N-[(3-chlorophenyl)methyl]-N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
SMILESCc1ncc(OC(=O)N(Cc2cccc(Cl)c2)CC2C3CN(CC4CCCC4)CC32)[nH]1
InChIInChI=1S/C24H31ClN4O2/c1-16-26-10-23(27-16)31-24(30)29(12-18-7-4-8-19(25)9-18)15-22-20-13-28(14-21(20)22)11-17-5-2-3-6-17/h4,7-10,17,20-22H,2-3,5-6,11-15H2,1H3,(H,26,27)
InChIKeyMRUIXYOITHMGQI-UHFFFAOYSA-N
MW442.99 g/mol
LogP4.74
Rot. Bonds7

About (2-methyl-1H-imidazol-5-yl) N-[(3-chlorophenyl)methyl]-N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate

(2-methyl-1H-imidazol-5-yl) N-[(3-chlorophenyl)methyl]-N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate (PubChem CID 90353448) has the molecular formula C24H31ClN4O2 and a molecular weight of 442.99 g/mol. Its IUPAC name is (2-methyl-1H-imidazol-5-yl) N-[(3-chlorophenyl)methyl]-N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate.

Molecular Properties

Compound Name(2-methyl-1H-imidazol-5-yl) N-[(3-chlorophenyl)methyl]-N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
PubChem CID90353448
Molecular FormulaC24H31ClN4O2
Molecular Weight442.99 g/mol
Exact Mass442.21
IUPAC Name(2-methyl-1H-imidazol-5-yl) N-[(3-chlorophenyl)methyl]-N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
SMILESCc1ncc(OC(=O)N(Cc2cccc(Cl)c2)CC2C3CN(CC4CCCC4)CC32)[nH]1
InChIInChI=1S/C24H31ClN4O2/c1-16-26-10-23(27-16)31-24(30)29(12-18-7-4-8-19(25)9-18)15-22-20-13-28(14-21(20)22)11-17-5-2-3-6-17/h4,7-10,17,20-22H,2-3,5-6,11-15H2,1H3,(H,26,27)
InChIKeyMRUIXYOITHMGQI-UHFFFAOYSA-N
XLogP4.74
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.99
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-propylimidazol-4-yl) N-[(3-chlorophenyl)methyl]-N-[(3-propyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]carbamate
CID 90353587
(5-chloro-2-pyridinyl) N-[(3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]carbamate
CID 90353466
1,3-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
1,3-thiazol-4-yl N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]carbamate
CID 90353617
(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
2-amino-N-[(3-chlorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 64824765
(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-[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
N-[(3-chlorophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975494
(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
ethyl 4-[1-[(3-chlorophenyl)methyl]piperidine-3-carbonyl]piperazine-1-carboxylate
CID 43920591

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-imidazol-5-yl) N-[(3-chlorophenyl)methyl]-N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
The IUPAC name of (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) is (2-methyl-1H-imidazol-5-yl) N-[(3-chlorophenyl)methyl]-N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate.
What is the SMILES notation for (2-methyl-1H-imidazol-5-yl) N-[(3-chlorophenyl)methyl]-N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
The canonical SMILES for (2-methyl-1H-imidazol-5-yl) N-[(3-chlorophenyl)methyl]-N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate is Cc1ncc(OC(=O)N(Cc2cccc(Cl)c2)CC2C3CN(CC4CCCC4)CC32)[nH]1.
What is the InChIKey of (2-methyl-1H-imidazol-5-yl) N-[(3-chlorophenyl)methyl]-N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
The InChIKey is MRUIXYOITHMGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O2/c1-16-26-10-23(27-16)31-24(30)29(12-18-7-4-8-19(25)9-18)15-22-20-13-28(14-21(20)22)11-17-5-2-3-6-17/h4,7-10,17,20-22H,2-3,5-6,11-15H2,1H3,(H,26,27).
What are the key properties of (2-methyl-1H-imidazol-5-yl) N-[(3-chlorophenyl)methyl]-N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
(2-methyl-1H-imidazol-5-yl) N-[(3-chlorophenyl)methyl]-N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate has a molecular weight of 442.99 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-imidazol-5-yl) N-[(3-chlorophenyl)methyl]-N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate is sourced from PubChem (CID 90353448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).