N'-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N,N'-dimethylethane-1,2-diamine

C12H23ClN4 — CID 74243132

IUPACN'-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCCCc1nc(Cl)c(CN(C)CCNC)[nH]1
InChIInChI=1S/C12H23ClN4/c1-4-5-6-11-15-10(12(13)16-11)9-17(3)8-7-14-2/h14H,4-9H2,1-3H3,(H,15,16)
InChIKeyBWGVFINDAGYQPX-UHFFFAOYSA-N
MW258.80 g/mol
LogP2.06
Rot. Bonds8

About N'-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N,N'-dimethylethane-1,2-diamine

N'-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 74243132) has the molecular formula C12H23ClN4 and a molecular weight of 258.80 g/mol. Its IUPAC name is N'-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID74243132
Molecular FormulaC12H23ClN4
Molecular Weight258.80 g/mol
Exact Mass258.16
IUPAC NameN'-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCCCc1nc(Cl)c(CN(C)CCNC)[nH]1
InChIInChI=1S/C12H23ClN4/c1-4-5-6-11-15-10(12(13)16-11)9-17(3)8-7-14-2/h14H,4-9H2,1-3H3,(H,15,16)
InChIKeyBWGVFINDAGYQPX-UHFFFAOYSA-N
XLogP2.06
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.80
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N,N'-dimethylethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N,N'-dimethylethane-1,2-diamine (CID 74243132) is N'-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N,N'-dimethylethane-1,2-diamine is CCCCc1nc(Cl)c(CN(C)CCNC)[nH]1.
What is the InChIKey of N'-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is BWGVFINDAGYQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN4/c1-4-5-6-11-15-10(12(13)16-11)9-17(3)8-7-14-2/h14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N'-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 258.80 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 74243132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).