7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide

C16H22N4O — CID 119871823

IUPAC7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C16H22N4O/c17-10-4-2-1-3-5-15(21)20-14-8-6-13(7-9-14)16-18-11-12-19-16/h6-9,11-12H,1-5,10,17H2,(H,18,19)(H,20,21)
InChIKeyGJUPTQQBXOQYIW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.92
Rot. Bonds8

About 7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide

7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide (PubChem CID 119871823) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide
PubChem CID119871823
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C16H22N4O/c17-10-4-2-1-3-5-15(21)20-14-8-6-13(7-9-14)16-18-11-12-19-16/h6-9,11-12H,1-5,10,17H2,(H,18,19)(H,20,21)
InChIKeyGJUPTQQBXOQYIW-UHFFFAOYSA-N
XLogP2.92
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide
CID 43713256
N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide
CID 60613262
2-(4-fluorophenyl)-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
CID 110726518
N-[4-(1H-imidazol-2-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 110726544
7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride
CID 119686436
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
7-amino-N-(4-pyrazol-1-ylphenyl)heptanamide
CID 43704126
2-(4-fluorophenoxy)-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
CID 110726553
(E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide
CID 110470252
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
4-(6-aminohexanoylamino)benzamide
CID 24702559
8-amino-N-[4-[10,15,20-tris[4-(8-aminooctanoylamino)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]octanamide
CID 135542396

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide?
The IUPAC name of 7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide (CID 119871823) is 7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide is NCCCCCCC(=O)Nc1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of 7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide?
The InChIKey is GJUPTQQBXOQYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c17-10-4-2-1-3-5-15(21)20-14-8-6-13(7-9-14)16-18-11-12-19-16/h6-9,11-12H,1-5,10,17H2,(H,18,19)(H,20,21).
What are the key properties of 7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide?
7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide has a molecular weight of 286.38 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide is sourced from PubChem (CID 119871823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).