5-amino-N-(1H-imidazol-2-yl)hexanamide

C9H16N4O — CID 82852623

IUPAC5-amino-N-(1H-imidazol-2-yl)hexanamide
SMILESCC(N)CCCC(=O)Nc1ncc[nH]1
InChIInChI=1S/C9H16N4O/c1-7(10)3-2-4-8(14)13-9-11-5-6-12-9/h5-7H,2-4,10H2,1H3,(H2,11,12,13,14)
InChIKeyXQDMHHFNIXBIMD-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.87
Rot. Bonds5

About 5-amino-N-(1H-imidazol-2-yl)hexanamide

5-amino-N-(1H-imidazol-2-yl)hexanamide (PubChem CID 82852623) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-amino-N-(1H-imidazol-2-yl)hexanamide.

Molecular Properties

Compound Name5-amino-N-(1H-imidazol-2-yl)hexanamide
PubChem CID82852623
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-amino-N-(1H-imidazol-2-yl)hexanamide
SMILESCC(N)CCCC(=O)Nc1ncc[nH]1
InChIInChI=1S/C9H16N4O/c1-7(10)3-2-4-8(14)13-9-11-5-6-12-9/h5-7H,2-4,10H2,1H3,(H2,11,12,13,14)
InChIKeyXQDMHHFNIXBIMD-UHFFFAOYSA-N
XLogP0.87
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
CID 63563168
5-bromo-N-(1H-imidazol-2-yl)pentanamide
CID 107910080
3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide
CID 63564488
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide
CID 63562983
N-(1H-imidazol-2-yl)-2-propylpentanamide
CID 115556416
N-(1H-imidazol-2-yl)-4-(2-methylphenoxy)butanamide
CID 60968243
5-amino-N-(4-fluorophenyl)hexanamide
CID 82848209
2-methylpropyl N-(1H-imidazol-2-yl)carbamate
CID 63565035
2-ethyl-N-(1H-imidazol-2-yl)hexanamide
CID 63565385
5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
1-(1H-imidazol-2-yl)-3-propan-2-ylurea
CID 63564076
5-amino-N-(4-pyrazol-1-ylphenyl)hexanamide
CID 82848976

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1H-imidazol-2-yl)hexanamide?
The IUPAC name of 5-amino-N-(1H-imidazol-2-yl)hexanamide (CID 82852623) is 5-amino-N-(1H-imidazol-2-yl)hexanamide.
What is the SMILES notation for 5-amino-N-(1H-imidazol-2-yl)hexanamide?
The canonical SMILES for 5-amino-N-(1H-imidazol-2-yl)hexanamide is CC(N)CCCC(=O)Nc1ncc[nH]1.
What is the InChIKey of 5-amino-N-(1H-imidazol-2-yl)hexanamide?
The InChIKey is XQDMHHFNIXBIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(10)3-2-4-8(14)13-9-11-5-6-12-9/h5-7H,2-4,10H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-amino-N-(1H-imidazol-2-yl)hexanamide?
5-amino-N-(1H-imidazol-2-yl)hexanamide has a molecular weight of 196.25 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1H-imidazol-2-yl)hexanamide is sourced from PubChem (CID 82852623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).