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

C12H22N4O — CID 123854188

IUPAC7-amino-N-methyl-7-(5-methyl-1H-imidazol-2-yl)heptanamide
SMILESCNC(=O)CCCCCC(N)c1ncc(C)[nH]1
InChIInChI=1S/C12H22N4O/c1-9-8-15-12(16-9)10(13)6-4-3-5-7-11(17)14-2/h8,10H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyWPGRHZMXSBOBCQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.41
Rot. Bonds7

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

7-amino-N-methyl-7-(5-methyl-1H-imidazol-2-yl)heptanamide (PubChem CID 123854188) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 7-amino-N-methyl-7-(5-methyl-1H-imidazol-2-yl)heptanamide.

Molecular Properties

Compound Name7-amino-N-methyl-7-(5-methyl-1H-imidazol-2-yl)heptanamide
PubChem CID123854188
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name7-amino-N-methyl-7-(5-methyl-1H-imidazol-2-yl)heptanamide
SMILESCNC(=O)CCCCCC(N)c1ncc(C)[nH]1
InChIInChI=1S/C12H22N4O/c1-9-8-15-12(16-9)10(13)6-4-3-5-7-11(17)14-2/h8,10H,3-7,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyWPGRHZMXSBOBCQ-UHFFFAOYSA-N
XLogP1.41
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.41
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

(3S)-3-amino-3-(5-methyl-1H-imidazol-2-yl)propan-1-ol
CID 96735034
N-methyl-7-(2-methyl-1H-imidazol-5-yl)heptanamide
CID 173264954
N,N'-dimethylheptanediamide
CID 15166696
N-[7-(methylamino)-1-[5-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]-1H-imidazol-2-yl]-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 118453204
2-cyclopentyl-1-(5-methyl-1H-imidazol-2-yl)ethanamine
CID 82401692
N,7-dimethyloctanamide;molecular hydrogen
CID 164603110
1-[(5S)-5-amino-5-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-3-methylurea
CID 118250050
N-[7-(methylamino)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide
CID 118453227
N-[(1S)-7-(methylamino)-7-oxo-1-[5-[4-(1H-pyrazol-5-yl)phenyl]-1H-imidazol-2-yl]heptyl]-1,3-thiazole-5-carboxamide
CID 74221664
CID 59445332
CID 59445332
benzyl-[7-(methylamino)-7-oxo-1-[5-[4-(1H-pyrazol-5-yl)phenyl]-1H-imidazol-2-yl]heptyl]carbamic acid
CID 118453304
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 125439324

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-methyl-7-(5-methyl-1H-imidazol-2-yl)heptanamide?
The IUPAC name of 7-amino-N-methyl-7-(5-methyl-1H-imidazol-2-yl)heptanamide (CID 123854188) is 7-amino-N-methyl-7-(5-methyl-1H-imidazol-2-yl)heptanamide.
What is the SMILES notation for 7-amino-N-methyl-7-(5-methyl-1H-imidazol-2-yl)heptanamide?
The canonical SMILES for 7-amino-N-methyl-7-(5-methyl-1H-imidazol-2-yl)heptanamide is CNC(=O)CCCCCC(N)c1ncc(C)[nH]1.
What is the InChIKey of 7-amino-N-methyl-7-(5-methyl-1H-imidazol-2-yl)heptanamide?
The InChIKey is WPGRHZMXSBOBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-8-15-12(16-9)10(13)6-4-3-5-7-11(17)14-2/h8,10H,3-7,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 7-amino-N-methyl-7-(5-methyl-1H-imidazol-2-yl)heptanamide?
7-amino-N-methyl-7-(5-methyl-1H-imidazol-2-yl)heptanamide has a molecular weight of 238.33 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-methyl-7-(5-methyl-1H-imidazol-2-yl)heptanamide is sourced from PubChem (CID 123854188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).