N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N',N'-dimethylethane-1,2-diamine

C13H20N4 — CID 82243004

IUPACN-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C13H20N4/c1-17(2)10-9-14-12-5-3-11(4-6-12)13-15-7-8-16-13/h3-6,14H,7-10H2,1-2H3,(H,15,16)
InChIKeyPGWLQKLNFUDICM-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.01
Rot. Bonds5

About N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N',N'-dimethylethane-1,2-diamine

N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 82243004) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID82243004
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C13H20N4/c1-17(2)10-9-14-12-5-3-11(4-6-12)13-15-7-8-16-13/h3-6,14H,7-10H2,1-2H3,(H,15,16)
InChIKeyPGWLQKLNFUDICM-UHFFFAOYSA-N
XLogP1.01
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N',N'-dimethylethane-1,2-diamine (CID 82243004) is N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ccc(C2=NCCN2)cc1.
What is the InChIKey of N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is PGWLQKLNFUDICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-17(2)10-9-14-12-5-3-11(4-6-12)13-15-7-8-16-13/h3-6,14H,7-10H2,1-2H3,(H,15,16).
What are the key properties of N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N',N'-dimethylethane-1,2-diamine?
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 82243004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).