2-cyclohexyl-5-[2-(oxepan-2-yl)ethyl]-1H-imidazole-4-carboxamide

C18H29N3O2 — CID 57162492

IUPAC2-cyclohexyl-5-[2-(oxepan-2-yl)ethyl]-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc(C2CCCCC2)[nH]c1CCC1CCCCCO1
InChIInChI=1S/C18H29N3O2/c19-17(22)16-15(11-10-14-9-5-2-6-12-23-14)20-18(21-16)13-7-3-1-4-8-13/h13-14H,1-12H2,(H2,19,22)(H,20,21)
InChIKeyUAXJMZKSRBLWFI-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.45
Rot. Bonds5

About 2-cyclohexyl-5-[2-(oxepan-2-yl)ethyl]-1H-imidazole-4-carboxamide

2-cyclohexyl-5-[2-(oxepan-2-yl)ethyl]-1H-imidazole-4-carboxamide (PubChem CID 57162492) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-cyclohexyl-5-[2-(oxepan-2-yl)ethyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-5-[2-(oxepan-2-yl)ethyl]-1H-imidazole-4-carboxamide
PubChem CID57162492
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name2-cyclohexyl-5-[2-(oxepan-2-yl)ethyl]-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc(C2CCCCC2)[nH]c1CCC1CCCCCO1
InChIInChI=1S/C18H29N3O2/c19-17(22)16-15(11-10-14-9-5-2-6-12-23-14)20-18(21-16)13-7-3-1-4-8-13/h13-14H,1-12H2,(H2,19,22)(H,20,21)
InChIKeyUAXJMZKSRBLWFI-UHFFFAOYSA-N
XLogP3.45
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[2-(oxepan-2-yl)ethyl]-1H-imidazole-4-carboxamide?
The IUPAC name of 2-cyclohexyl-5-[2-(oxepan-2-yl)ethyl]-1H-imidazole-4-carboxamide (CID 57162492) is 2-cyclohexyl-5-[2-(oxepan-2-yl)ethyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-5-[2-(oxepan-2-yl)ethyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-5-[2-(oxepan-2-yl)ethyl]-1H-imidazole-4-carboxamide is NC(=O)c1nc(C2CCCCC2)[nH]c1CCC1CCCCCO1.
What is the InChIKey of 2-cyclohexyl-5-[2-(oxepan-2-yl)ethyl]-1H-imidazole-4-carboxamide?
The InChIKey is UAXJMZKSRBLWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c19-17(22)16-15(11-10-14-9-5-2-6-12-23-14)20-18(21-16)13-7-3-1-4-8-13/h13-14H,1-12H2,(H2,19,22)(H,20,21).
What are the key properties of 2-cyclohexyl-5-[2-(oxepan-2-yl)ethyl]-1H-imidazole-4-carboxamide?
2-cyclohexyl-5-[2-(oxepan-2-yl)ethyl]-1H-imidazole-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[2-(oxepan-2-yl)ethyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 57162492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).