N-[(3-chlorophenyl)methyl]-1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide

C19H23ClN4O — CID 45267039

IUPACN-[(3-chlorophenyl)methyl]-1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
SMILESCN1C[C@@H]2C(CN(Cc3cccc(Cl)c3)C(=O)c3cn(C)cn3)[C@@H]2C1
InChIInChI=1S/C19H23ClN4O/c1-22-8-15-16(9-22)17(15)10-24(7-13-4-3-5-14(20)6-13)19(25)18-11-23(2)12-21-18/h3-6,11-12,15-17H,7-10H2,1-2H3/t15-,16+,17?
InChIKeyGGOFKOFOQJFNFE-SJPCQFCGSA-N
MW358.87 g/mol
LogP2.52
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide

N-[(3-chlorophenyl)methyl]-1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide (PubChem CID 45267039) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
PubChem CID45267039
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC NameN-[(3-chlorophenyl)methyl]-1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide
SMILESCN1C[C@@H]2C(CN(Cc3cccc(Cl)c3)C(=O)c3cn(C)cn3)[C@@H]2C1
InChIInChI=1S/C19H23ClN4O/c1-22-8-15-16(9-22)17(15)10-24(7-13-4-3-5-14(20)6-13)19(25)18-11-23(2)12-21-18/h3-6,11-12,15-17H,7-10H2,1-2H3/t15-,16+,17?
InChIKeyGGOFKOFOQJFNFE-SJPCQFCGSA-N
XLogP2.52
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3-chlorophenyl)methyl]-1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide with MolForge

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Related Compounds

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CID 44515684
2-[[1-(4-Chlorophenyl)cyclopropyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide (CID 45267039) is N-[(3-chlorophenyl)methyl]-1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide is CN1C[C@@H]2C(CN(Cc3cccc(Cl)c3)C(=O)c3cn(C)cn3)[C@@H]2C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide?
The InChIKey is GGOFKOFOQJFNFE-SJPCQFCGSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-22-8-15-16(9-22)17(15)10-24(7-13-4-3-5-14(20)6-13)19(25)18-11-23(2)12-21-18/h3-6,11-12,15-17H,7-10H2,1-2H3/t15-,16+,17?.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide?
N-[(3-chlorophenyl)methyl]-1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-methyl-N-[[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 45267039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).