N'-[(5-chloro-3-propylimidazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine

C11H21ClN4 — CID 118971370

IUPACN'-[(5-chloro-3-propylimidazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCCn1cnc(Cl)c1CN(C)CCNC
InChIInChI=1S/C11H21ClN4/c1-4-6-16-9-14-11(12)10(16)8-15(3)7-5-13-2/h9,13H,4-8H2,1-3H3
InChIKeyYIIFXRPMARONFR-UHFFFAOYSA-N
MW244.77 g/mol
LogP1.60
Rot. Bonds7

About N'-[(5-chloro-3-propylimidazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine

N'-[(5-chloro-3-propylimidazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 118971370) has the molecular formula C11H21ClN4 and a molecular weight of 244.77 g/mol. Its IUPAC name is N'-[(5-chloro-3-propylimidazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-chloro-3-propylimidazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID118971370
Molecular FormulaC11H21ClN4
Molecular Weight244.77 g/mol
Exact Mass244.15
IUPAC NameN'-[(5-chloro-3-propylimidazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCCn1cnc(Cl)c1CN(C)CCNC
InChIInChI=1S/C11H21ClN4/c1-4-6-16-9-14-11(12)10(16)8-15(3)7-5-13-2/h9,13H,4-8H2,1-3H3
InChIKeyYIIFXRPMARONFR-UHFFFAOYSA-N
XLogP1.60
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(5-chloro-3-propylimidazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(5-chloro-3-propylimidazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine (CID 118971370) is N'-[(5-chloro-3-propylimidazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-chloro-3-propylimidazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(5-chloro-3-propylimidazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine is CCCn1cnc(Cl)c1CN(C)CCNC.
What is the InChIKey of N'-[(5-chloro-3-propylimidazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is YIIFXRPMARONFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN4/c1-4-6-16-9-14-11(12)10(16)8-15(3)7-5-13-2/h9,13H,4-8H2,1-3H3.
What are the key properties of N'-[(5-chloro-3-propylimidazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[(5-chloro-3-propylimidazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 244.77 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-chloro-3-propylimidazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 118971370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).