N-(7-aminoheptyl)-1-methylimidazole-2-carboxamide

C12H22N4O — CID 101260235

IUPACN-(7-aminoheptyl)-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)NCCCCCCCN
InChIInChI=1S/C12H22N4O/c1-16-10-9-14-11(16)12(17)15-8-6-4-2-3-5-7-13/h9-10H,2-8,13H2,1H3,(H,15,17)
InChIKeyUNEVCXCNVILAAL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.06
Rot. Bonds8

About N-(7-aminoheptyl)-1-methylimidazole-2-carboxamide

N-(7-aminoheptyl)-1-methylimidazole-2-carboxamide (PubChem CID 101260235) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(7-aminoheptyl)-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(7-aminoheptyl)-1-methylimidazole-2-carboxamide
PubChem CID101260235
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(7-aminoheptyl)-1-methylimidazole-2-carboxamide
SMILESCn1ccnc1C(=O)NCCCCCCCN
InChIInChI=1S/C12H22N4O/c1-16-10-9-14-11(16)12(17)15-8-6-4-2-3-5-7-13/h9-10H,2-8,13H2,1H3,(H,15,17)
InChIKeyUNEVCXCNVILAAL-UHFFFAOYSA-N
XLogP1.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-aminoheptyl)-1-methylimidazole-2-carboxamide?
The IUPAC name of N-(7-aminoheptyl)-1-methylimidazole-2-carboxamide (CID 101260235) is N-(7-aminoheptyl)-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-(7-aminoheptyl)-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-(7-aminoheptyl)-1-methylimidazole-2-carboxamide is Cn1ccnc1C(=O)NCCCCCCCN.
What is the InChIKey of N-(7-aminoheptyl)-1-methylimidazole-2-carboxamide?
The InChIKey is UNEVCXCNVILAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-16-10-9-14-11(16)12(17)15-8-6-4-2-3-5-7-13/h9-10H,2-8,13H2,1H3,(H,15,17).
What are the key properties of N-(7-aminoheptyl)-1-methylimidazole-2-carboxamide?
N-(7-aminoheptyl)-1-methylimidazole-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-aminoheptyl)-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 101260235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).