N-cyclohexyl-N-methyl-4-[3-(phenylmethoxycarbamoyl)phenyl]imidazole-1-carboxamide

C25H28N4O3 — CID 87121267

IUPACN-cyclohexyl-N-methyl-4-[3-(phenylmethoxycarbamoyl)phenyl]imidazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2cccc(C(=O)NOCc3ccccc3)c2)c1)C1CCCCC1
InChIInChI=1S/C25H28N4O3/c1-28(22-13-6-3-7-14-22)25(31)29-16-23(26-18-29)20-11-8-12-21(15-20)24(30)27-32-17-19-9-4-2-5-10-19/h2,4-5,8-12,15-16,18,22H,3,6-7,13-14,17H2,1H3,(H,27,30)
InChIKeyHOBAAJBIHWODNV-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.64
Rot. Bonds6

About N-cyclohexyl-N-methyl-4-[3-(phenylmethoxycarbamoyl)phenyl]imidazole-1-carboxamide

N-cyclohexyl-N-methyl-4-[3-(phenylmethoxycarbamoyl)phenyl]imidazole-1-carboxamide (PubChem CID 87121267) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-[3-(phenylmethoxycarbamoyl)phenyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-[3-(phenylmethoxycarbamoyl)phenyl]imidazole-1-carboxamide
PubChem CID87121267
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-cyclohexyl-N-methyl-4-[3-(phenylmethoxycarbamoyl)phenyl]imidazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2cccc(C(=O)NOCc3ccccc3)c2)c1)C1CCCCC1
InChIInChI=1S/C25H28N4O3/c1-28(22-13-6-3-7-14-22)25(31)29-16-23(26-18-29)20-11-8-12-21(15-20)24(30)27-32-17-19-9-4-2-5-10-19/h2,4-5,8-12,15-16,18,22H,3,6-7,13-14,17H2,1H3,(H,27,30)
InChIKeyHOBAAJBIHWODNV-UHFFFAOYSA-N
XLogP4.64
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-[3-(phenylmethoxycarbamoyl)phenyl]imidazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-[3-(phenylmethoxycarbamoyl)phenyl]imidazole-1-carboxamide (CID 87121267) is N-cyclohexyl-N-methyl-4-[3-(phenylmethoxycarbamoyl)phenyl]imidazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-[3-(phenylmethoxycarbamoyl)phenyl]imidazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-[3-(phenylmethoxycarbamoyl)phenyl]imidazole-1-carboxamide is CN(C(=O)n1cnc(-c2cccc(C(=O)NOCc3ccccc3)c2)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-[3-(phenylmethoxycarbamoyl)phenyl]imidazole-1-carboxamide?
The InChIKey is HOBAAJBIHWODNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-28(22-13-6-3-7-14-22)25(31)29-16-23(26-18-29)20-11-8-12-21(15-20)24(30)27-32-17-19-9-4-2-5-10-19/h2,4-5,8-12,15-16,18,22H,3,6-7,13-14,17H2,1H3,(H,27,30).
What are the key properties of N-cyclohexyl-N-methyl-4-[3-(phenylmethoxycarbamoyl)phenyl]imidazole-1-carboxamide?
N-cyclohexyl-N-methyl-4-[3-(phenylmethoxycarbamoyl)phenyl]imidazole-1-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-[3-(phenylmethoxycarbamoyl)phenyl]imidazole-1-carboxamide is sourced from PubChem (CID 87121267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).