7-(2-methyl-1H-imidazol-5-yl)heptanamide

C11H19N3O — CID 173264947

IUPAC7-(2-methyl-1H-imidazol-5-yl)heptanamide
SMILESCc1ncc(CCCCCCC(N)=O)[nH]1
InChIInChI=1S/C11H19N3O/c1-9-13-8-10(14-9)6-4-2-3-5-7-11(12)15/h8H,2-7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyIMYPTGCOTWMEST-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.70
Rot. Bonds7

About 7-(2-methyl-1H-imidazol-5-yl)heptanamide

7-(2-methyl-1H-imidazol-5-yl)heptanamide (PubChem CID 173264947) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 7-(2-methyl-1H-imidazol-5-yl)heptanamide.

Molecular Properties

Compound Name7-(2-methyl-1H-imidazol-5-yl)heptanamide
PubChem CID173264947
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name7-(2-methyl-1H-imidazol-5-yl)heptanamide
SMILESCc1ncc(CCCCCCC(N)=O)[nH]1
InChIInChI=1S/C11H19N3O/c1-9-13-8-10(14-9)6-4-2-3-5-7-11(12)15/h8H,2-7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyIMYPTGCOTWMEST-UHFFFAOYSA-N
XLogP1.70
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide
CID 173264954
2-methyl-5-octadecyl-1H-imidazole;hydrobromide
CID 174843690
2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole
CID 174836740
2-[(2-methyl-1H-imidazol-5-yl)methylamino]acetamide
CID 62743615
N,N-diethyl-3-(2-methyl-1H-imidazol-5-yl)propanamide
CID 173265047
5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride
CID 70249249
2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride
CID 67010725
5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid
CID 174836743
2-methyl-5-propyl-1H-imidazole
CID 22956170
3-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenoxy]propanamide
CID 62743092
2,5-dimethyl-1H-imidazole;urea
CID 172859252
2-amino-3-(2-methyl-1H-imidazol-5-yl)propanoic acid;hydrochloride
CID 168922751

Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-1H-imidazol-5-yl)heptanamide?
The IUPAC name of 7-(2-methyl-1H-imidazol-5-yl)heptanamide (CID 173264947) is 7-(2-methyl-1H-imidazol-5-yl)heptanamide.
What is the SMILES notation for 7-(2-methyl-1H-imidazol-5-yl)heptanamide?
The canonical SMILES for 7-(2-methyl-1H-imidazol-5-yl)heptanamide is Cc1ncc(CCCCCCC(N)=O)[nH]1.
What is the InChIKey of 7-(2-methyl-1H-imidazol-5-yl)heptanamide?
The InChIKey is IMYPTGCOTWMEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-13-8-10(14-9)6-4-2-3-5-7-11(12)15/h8H,2-7H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 7-(2-methyl-1H-imidazol-5-yl)heptanamide?
7-(2-methyl-1H-imidazol-5-yl)heptanamide has a molecular weight of 209.29 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-1H-imidazol-5-yl)heptanamide is sourced from PubChem (CID 173264947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).