N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine

C14H23N5O — CID 106565958

IUPACN-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1NCCCCn1ccnc1
InChIInChI=1S/C14H23N5O/c1-20-12-4-9-19-11-7-17-14(19)16-5-2-3-8-18-10-6-15-13-18/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,16,17)
InChIKeyGIUACLVBDYGQFW-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.01
Rot. Bonds10

About N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine

N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106565958) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine
PubChem CID106565958
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCn1ccnc1NCCCCn1ccnc1
InChIInChI=1S/C14H23N5O/c1-20-12-4-9-19-11-7-17-14(19)16-5-2-3-8-18-10-6-15-13-18/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,16,17)
InChIKeyGIUACLVBDYGQFW-UHFFFAOYSA-N
XLogP2.01
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2-methoxyethoxy)butyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106581197
N-(3-methoxypropyl)-1-octylimidazol-2-amine
CID 106578886
N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine
CID 106558814
N-[4-(2-methoxyethoxy)butyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106581208
1-butyl-N-[4-(2-methoxyethoxy)butyl]imidazol-2-amine
CID 106581195
1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106558829
N-ethyl-1-(4-methoxybutyl)imidazol-2-amine
CID 106565023
N-(3-imidazol-1-ylpropyl)-1-methylimidazol-2-amine
CID 62132911
N-[1-(3-methoxypropyl)imidazol-2-yl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 106570460
1-[2-[di(propan-2-yl)amino]ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106555590
6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 19144273
N-(3-methoxypropyl)-1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-amine
CID 106568485

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine (CID 106565958) is N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine is COCCCn1ccnc1NCCCCn1ccnc1.
What is the InChIKey of N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is GIUACLVBDYGQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-20-12-4-9-19-11-7-17-14(19)16-5-2-3-8-18-10-6-15-13-18/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,16,17).
What are the key properties of N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine?
N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 277.37 g/mol, XLogP of 2.01, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106565958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).