4-N,4-N-bis(1H-imidazol-2-ylmethyl)cyclohexane-1,4-dicarboxamide

C16H22N6O2 — CID 67168538

IUPAC4-N,4-N-bis(1H-imidazol-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESNC(=O)C1CCC(C(=O)N(Cc2ncc[nH]2)Cc2ncc[nH]2)CC1
InChIInChI=1S/C16H22N6O2/c17-15(23)11-1-3-12(4-2-11)16(24)22(9-13-18-5-6-19-13)10-14-20-7-8-21-14/h5-8,11-12H,1-4,9-10H2,(H2,17,23)(H,18,19)(H,20,21)
InChIKeyMKVNTXJFESXQOG-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.95
Rot. Bonds6

About 4-N,4-N-bis(1H-imidazol-2-ylmethyl)cyclohexane-1,4-dicarboxamide

4-N,4-N-bis(1H-imidazol-2-ylmethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 67168538) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-N,4-N-bis(1H-imidazol-2-ylmethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-bis(1H-imidazol-2-ylmethyl)cyclohexane-1,4-dicarboxamide
PubChem CID67168538
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name4-N,4-N-bis(1H-imidazol-2-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESNC(=O)C1CCC(C(=O)N(Cc2ncc[nH]2)Cc2ncc[nH]2)CC1
InChIInChI=1S/C16H22N6O2/c17-15(23)11-1-3-12(4-2-11)16(24)22(9-13-18-5-6-19-13)10-14-20-7-8-21-14/h5-8,11-12H,1-4,9-10H2,(H2,17,23)(H,18,19)(H,20,21)
InChIKeyMKVNTXJFESXQOG-UHFFFAOYSA-N
XLogP0.95
TPSA120.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-N,4-N-bis(1H-imidazol-2-ylmethyl)cyclohexane-1,4-dicarboxamide 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 4-N,4-N-bis(1H-imidazol-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N,4-N-bis(1H-imidazol-2-ylmethyl)cyclohexane-1,4-dicarboxamide (CID 67168538) is 4-N,4-N-bis(1H-imidazol-2-ylmethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-bis(1H-imidazol-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-bis(1H-imidazol-2-ylmethyl)cyclohexane-1,4-dicarboxamide is NC(=O)C1CCC(C(=O)N(Cc2ncc[nH]2)Cc2ncc[nH]2)CC1.
What is the InChIKey of 4-N,4-N-bis(1H-imidazol-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is MKVNTXJFESXQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c17-15(23)11-1-3-12(4-2-11)16(24)22(9-13-18-5-6-19-13)10-14-20-7-8-21-14/h5-8,11-12H,1-4,9-10H2,(H2,17,23)(H,18,19)(H,20,21).
What are the key properties of 4-N,4-N-bis(1H-imidazol-2-ylmethyl)cyclohexane-1,4-dicarboxamide?
4-N,4-N-bis(1H-imidazol-2-ylmethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(1H-imidazol-2-ylmethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 67168538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).