N-(cyclohexylmethyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazole-4-carboxamide

C19H30N4O — CID 69471142

IUPACN-(cyclohexylmethyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazole-4-carboxamide
SMILESCN1CC2C(C1)C2CN(CC1CCCCC1)C(=O)c1cn(C)cn1
InChIInChI=1S/C19H30N4O/c1-21-9-15-16(10-21)17(15)11-23(8-14-6-4-3-5-7-14)19(24)18-12-22(2)13-20-18/h12-17H,3-11H2,1-2H3
InChIKeyKBZUBFQFBLCWDC-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.25
Rot. Bonds5

About N-(cyclohexylmethyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazole-4-carboxamide

N-(cyclohexylmethyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazole-4-carboxamide (PubChem CID 69471142) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazole-4-carboxamide
PubChem CID69471142
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-(cyclohexylmethyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazole-4-carboxamide
SMILESCN1CC2C(C1)C2CN(CC1CCCCC1)C(=O)c1cn(C)cn1
InChIInChI=1S/C19H30N4O/c1-21-9-15-16(10-21)17(15)11-23(8-14-6-4-3-5-7-14)19(24)18-12-22(2)13-20-18/h12-17H,3-11H2,1-2H3
InChIKeyKBZUBFQFBLCWDC-UHFFFAOYSA-N
XLogP2.25
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazole-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazole-4-carboxamide (CID 69471142) is N-(cyclohexylmethyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazole-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazole-4-carboxamide is CN1CC2C(C1)C2CN(CC1CCCCC1)C(=O)c1cn(C)cn1.
What is the InChIKey of N-(cyclohexylmethyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazole-4-carboxamide?
The InChIKey is KBZUBFQFBLCWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-21-9-15-16(10-21)17(15)11-23(8-14-6-4-3-5-7-14)19(24)18-12-22(2)13-20-18/h12-17H,3-11H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazole-4-carboxamide?
N-(cyclohexylmethyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazole-4-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-methyl-N-[(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 69471142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).