N,N-bis(1H-imidazol-2-ylmethyl)cyclohexanecarboxamide

C15H21N5O — CID 89497353

IUPACN,N-bis(1H-imidazol-2-ylmethyl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(Cc1ncc[nH]1)Cc1ncc[nH]1
InChIInChI=1S/C15H21N5O/c21-15(12-4-2-1-3-5-12)20(10-13-16-6-7-17-13)11-14-18-8-9-19-14/h6-9,12H,1-5,10-11H2,(H,16,17)(H,18,19)
InChIKeyDMNJACKCOCNQMI-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.24
Rot. Bonds5

About N,N-bis(1H-imidazol-2-ylmethyl)cyclohexanecarboxamide

N,N-bis(1H-imidazol-2-ylmethyl)cyclohexanecarboxamide (PubChem CID 89497353) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N,N-bis(1H-imidazol-2-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN,N-bis(1H-imidazol-2-ylmethyl)cyclohexanecarboxamide
PubChem CID89497353
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN,N-bis(1H-imidazol-2-ylmethyl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(Cc1ncc[nH]1)Cc1ncc[nH]1
InChIInChI=1S/C15H21N5O/c21-15(12-4-2-1-3-5-12)20(10-13-16-6-7-17-13)11-14-18-8-9-19-14/h6-9,12H,1-5,10-11H2,(H,16,17)(H,18,19)
InChIKeyDMNJACKCOCNQMI-UHFFFAOYSA-N
XLogP2.24
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,N-bis(1H-imidazol-2-ylmethyl)cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1H-imidazol-2-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N,N-bis(1H-imidazol-2-ylmethyl)cyclohexanecarboxamide (CID 89497353) is N,N-bis(1H-imidazol-2-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N,N-bis(1H-imidazol-2-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N,N-bis(1H-imidazol-2-ylmethyl)cyclohexanecarboxamide is O=C(C1CCCCC1)N(Cc1ncc[nH]1)Cc1ncc[nH]1.
What is the InChIKey of N,N-bis(1H-imidazol-2-ylmethyl)cyclohexanecarboxamide?
The InChIKey is DMNJACKCOCNQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c21-15(12-4-2-1-3-5-12)20(10-13-16-6-7-17-13)11-14-18-8-9-19-14/h6-9,12H,1-5,10-11H2,(H,16,17)(H,18,19).
What are the key properties of N,N-bis(1H-imidazol-2-ylmethyl)cyclohexanecarboxamide?
N,N-bis(1H-imidazol-2-ylmethyl)cyclohexanecarboxamide has a molecular weight of 287.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1H-imidazol-2-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 89497353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).