5-(1-cyclohexyltetrazol-5-yl)-N-(1H-imidazol-2-yl)-N-methylpentanamide

C16H25N7O — CID 21295446

IUPAC5-(1-cyclohexyltetrazol-5-yl)-N-(1H-imidazol-2-yl)-N-methylpentanamide
SMILESCN(C(=O)CCCCc1nnnn1C1CCCCC1)c1ncc[nH]1
InChIInChI=1S/C16H25N7O/c1-22(16-17-11-12-18-16)15(24)10-6-5-9-14-19-20-21-23(14)13-7-3-2-4-8-13/h11-13H,2-10H2,1H3,(H,17,18)
InChIKeyAPTWBLGZYKWOOS-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.28
Rot. Bonds7

About 5-(1-cyclohexyltetrazol-5-yl)-N-(1H-imidazol-2-yl)-N-methylpentanamide

5-(1-cyclohexyltetrazol-5-yl)-N-(1H-imidazol-2-yl)-N-methylpentanamide (PubChem CID 21295446) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-(1-cyclohexyltetrazol-5-yl)-N-(1H-imidazol-2-yl)-N-methylpentanamide.

Molecular Properties

Compound Name5-(1-cyclohexyltetrazol-5-yl)-N-(1H-imidazol-2-yl)-N-methylpentanamide
PubChem CID21295446
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name5-(1-cyclohexyltetrazol-5-yl)-N-(1H-imidazol-2-yl)-N-methylpentanamide
SMILESCN(C(=O)CCCCc1nnnn1C1CCCCC1)c1ncc[nH]1
InChIInChI=1S/C16H25N7O/c1-22(16-17-11-12-18-16)15(24)10-6-5-9-14-19-20-21-23(14)13-7-3-2-4-8-13/h11-13H,2-10H2,1H3,(H,17,18)
InChIKeyAPTWBLGZYKWOOS-UHFFFAOYSA-N
XLogP2.28
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(1-cyclohexyltetrazol-5-yl)-N-(1H-imidazol-2-yl)-N-methylpentanamide 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 5-(1-cyclohexyltetrazol-5-yl)-N-(1H-imidazol-2-yl)-N-methylpentanamide?
The IUPAC name of 5-(1-cyclohexyltetrazol-5-yl)-N-(1H-imidazol-2-yl)-N-methylpentanamide (CID 21295446) is 5-(1-cyclohexyltetrazol-5-yl)-N-(1H-imidazol-2-yl)-N-methylpentanamide.
What is the SMILES notation for 5-(1-cyclohexyltetrazol-5-yl)-N-(1H-imidazol-2-yl)-N-methylpentanamide?
The canonical SMILES for 5-(1-cyclohexyltetrazol-5-yl)-N-(1H-imidazol-2-yl)-N-methylpentanamide is CN(C(=O)CCCCc1nnnn1C1CCCCC1)c1ncc[nH]1.
What is the InChIKey of 5-(1-cyclohexyltetrazol-5-yl)-N-(1H-imidazol-2-yl)-N-methylpentanamide?
The InChIKey is APTWBLGZYKWOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-22(16-17-11-12-18-16)15(24)10-6-5-9-14-19-20-21-23(14)13-7-3-2-4-8-13/h11-13H,2-10H2,1H3,(H,17,18).
What are the key properties of 5-(1-cyclohexyltetrazol-5-yl)-N-(1H-imidazol-2-yl)-N-methylpentanamide?
5-(1-cyclohexyltetrazol-5-yl)-N-(1H-imidazol-2-yl)-N-methylpentanamide has a molecular weight of 331.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexyltetrazol-5-yl)-N-(1H-imidazol-2-yl)-N-methylpentanamide is sourced from PubChem (CID 21295446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).