N-cyclohexyl-4-(4-methoxy-3-nitrosophenyl)-N-methylimidazole-1-carboxamide

C18H22N4O3 — CID 87111901

IUPACN-cyclohexyl-4-(4-methoxy-3-nitrosophenyl)-N-methylimidazole-1-carboxamide
SMILESCOc1ccc(-c2cn(C(=O)N(C)C3CCCCC3)cn2)cc1N=O
InChIInChI=1S/C18H22N4O3/c1-21(14-6-4-3-5-7-14)18(23)22-11-16(19-12-22)13-8-9-17(25-2)15(10-13)20-24/h8-12,14H,3-7H2,1-2H3
InChIKeyZSUINKSVSIGMLX-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.19
Rot. Bonds4

About N-cyclohexyl-4-(4-methoxy-3-nitrosophenyl)-N-methylimidazole-1-carboxamide

N-cyclohexyl-4-(4-methoxy-3-nitrosophenyl)-N-methylimidazole-1-carboxamide (PubChem CID 87111901) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-methoxy-3-nitrosophenyl)-N-methylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-methoxy-3-nitrosophenyl)-N-methylimidazole-1-carboxamide
PubChem CID87111901
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-cyclohexyl-4-(4-methoxy-3-nitrosophenyl)-N-methylimidazole-1-carboxamide
SMILESCOc1ccc(-c2cn(C(=O)N(C)C3CCCCC3)cn2)cc1N=O
InChIInChI=1S/C18H22N4O3/c1-21(14-6-4-3-5-7-14)18(23)22-11-16(19-12-22)13-8-9-17(25-2)15(10-13)20-24/h8-12,14H,3-7H2,1-2H3
InChIKeyZSUINKSVSIGMLX-UHFFFAOYSA-N
XLogP4.19
TPSA76.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-methoxy-3-nitrosophenyl)-N-methylimidazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(4-methoxy-3-nitrosophenyl)-N-methylimidazole-1-carboxamide (CID 87111901) is N-cyclohexyl-4-(4-methoxy-3-nitrosophenyl)-N-methylimidazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(4-methoxy-3-nitrosophenyl)-N-methylimidazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(4-methoxy-3-nitrosophenyl)-N-methylimidazole-1-carboxamide is COc1ccc(-c2cn(C(=O)N(C)C3CCCCC3)cn2)cc1N=O.
What is the InChIKey of N-cyclohexyl-4-(4-methoxy-3-nitrosophenyl)-N-methylimidazole-1-carboxamide?
The InChIKey is ZSUINKSVSIGMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21(14-6-4-3-5-7-14)18(23)22-11-16(19-12-22)13-8-9-17(25-2)15(10-13)20-24/h8-12,14H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-4-(4-methoxy-3-nitrosophenyl)-N-methylimidazole-1-carboxamide?
N-cyclohexyl-4-(4-methoxy-3-nitrosophenyl)-N-methylimidazole-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-methoxy-3-nitrosophenyl)-N-methylimidazole-1-carboxamide is sourced from PubChem (CID 87111901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).