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

C12H21N3O — CID 173264954

IUPACN-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide
SMILESCNC(=O)CCCCCCc1cnc(C)[nH]1
InChIInChI=1S/C12H21N3O/c1-10-14-9-11(15-10)7-5-3-4-6-8-12(16)13-2/h9H,3-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyVHHGVASKCYUSRL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.96
Rot. Bonds7

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

N-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide (PubChem CID 173264954) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide.

Molecular Properties

Compound NameN-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide
PubChem CID173264954
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide
SMILESCNC(=O)CCCCCCc1cnc(C)[nH]1
InChIInChI=1S/C12H21N3O/c1-10-14-9-11(15-10)7-5-3-4-6-8-12(16)13-2/h9H,3-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyVHHGVASKCYUSRL-UHFFFAOYSA-N
XLogP1.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.96
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

7-(2-methyl-1H-imidazol-5-yl)heptanamide
CID 173264947
5-(16-chlorohexadecyl)-2-methyl-1H-imidazole
CID 175160891
2-methyl-5-octadecyl-1H-imidazole;hydrobromide
CID 174843690
5-butyl-2-methyl-1H-imidazole;2-(methylamino)acetic acid
CID 174836743
7-amino-N-methyl-7-(5-methyl-1H-imidazol-2-yl)heptanamide
CID 123854188
N,N'-dimethylheptanediamide
CID 15166696
N,N-diethyl-3-(2-methyl-1H-imidazol-5-yl)propanamide
CID 173265047
2-aminoacetic acid;5-butyl-2-methyl-1H-imidazole
CID 174836740
2-(2-methyl-1H-imidazol-5-yl)acetaldehyde
CID 87522878
N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 171550481
5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride
CID 70249249
5-(2-amino-1H-imidazol-5-yl)-N-hexylpentanamide
CID 25178089

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide?
The IUPAC name of N-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide (CID 173264954) is N-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide.
What is the SMILES notation for N-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide?
The canonical SMILES for N-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide is CNC(=O)CCCCCCc1cnc(C)[nH]1.
What is the InChIKey of N-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide?
The InChIKey is VHHGVASKCYUSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-14-9-11(15-10)7-5-3-4-6-8-12(16)13-2/h9H,3-8H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide?
N-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide has a molecular weight of 223.32 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide is sourced from PubChem (CID 173264954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).