2-cyano-N-(6-imidazol-1-ylhexyl)acetamide

C12H18N4O — CID 110444916

IUPAC2-cyano-N-(6-imidazol-1-ylhexyl)acetamide
SMILESN#CCC(=O)NCCCCCCn1ccnc1
InChIInChI=1S/C12H18N4O/c13-6-5-12(17)15-7-3-1-2-4-9-16-10-8-14-11-16/h8,10-11H,1-5,7,9H2,(H,15,17)
InChIKeyKMSURBTTYDRAIQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.47
Rot. Bonds8

About 2-cyano-N-(6-imidazol-1-ylhexyl)acetamide

2-cyano-N-(6-imidazol-1-ylhexyl)acetamide (PubChem CID 110444916) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-cyano-N-(6-imidazol-1-ylhexyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(6-imidazol-1-ylhexyl)acetamide
PubChem CID110444916
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-cyano-N-(6-imidazol-1-ylhexyl)acetamide
SMILESN#CCC(=O)NCCCCCCn1ccnc1
InChIInChI=1S/C12H18N4O/c13-6-5-12(17)15-7-3-1-2-4-9-16-10-8-14-11-16/h8,10-11H,1-5,7,9H2,(H,15,17)
InChIKeyKMSURBTTYDRAIQ-UHFFFAOYSA-N
XLogP1.47
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
N-(5-imidazol-1-ylpentyl)-3-methylbutanamide
CID 110442138
2-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]sulfanylacetic acid
CID 104569804
2,2,2-trifluoro-N-(6-imidazol-1-ylhexyl)acetamide
CID 110443177
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
4-(3-imidazol-1-ylpropylamino)-4-oxobutanoate
CID 7009162
3-imidazol-1-ylpropylurea
CID 22179621
4-(4-imidazol-1-ylbutylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65299659
N-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]benzamide
CID 110443115

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(6-imidazol-1-ylhexyl)acetamide?
The IUPAC name of 2-cyano-N-(6-imidazol-1-ylhexyl)acetamide (CID 110444916) is 2-cyano-N-(6-imidazol-1-ylhexyl)acetamide.
What is the SMILES notation for 2-cyano-N-(6-imidazol-1-ylhexyl)acetamide?
The canonical SMILES for 2-cyano-N-(6-imidazol-1-ylhexyl)acetamide is N#CCC(=O)NCCCCCCn1ccnc1.
What is the InChIKey of 2-cyano-N-(6-imidazol-1-ylhexyl)acetamide?
The InChIKey is KMSURBTTYDRAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-6-5-12(17)15-7-3-1-2-4-9-16-10-8-14-11-16/h8,10-11H,1-5,7,9H2,(H,15,17).
What are the key properties of 2-cyano-N-(6-imidazol-1-ylhexyl)acetamide?
2-cyano-N-(6-imidazol-1-ylhexyl)acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(6-imidazol-1-ylhexyl)acetamide is sourced from PubChem (CID 110444916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).