N,N,N',N'-tetrakis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine

C22H32N10 — CID 58225633

IUPACN,N,N',N'-tetrakis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
SMILESCn1ccnc1CN(CCN(Cc1nccn1C)Cc1nccn1C)Cc1nccn1C
InChIInChI=1S/C22H32N10/c1-27-9-5-23-19(27)15-31(16-20-24-6-10-28(20)2)13-14-32(17-21-25-7-11-29(21)3)18-22-26-8-12-30(22)4/h5-12H,13-18H2,1-4H3
InChIKeyIPGFHHWZIQWLBJ-UHFFFAOYSA-N
MW436.57 g/mol
LogP1.33
Rot. Bonds11

About N,N,N',N'-tetrakis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine

N,N,N',N'-tetrakis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine (PubChem CID 58225633) has the molecular formula C22H32N10 and a molecular weight of 436.57 g/mol. Its IUPAC name is N,N,N',N'-tetrakis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
PubChem CID58225633
Molecular FormulaC22H32N10
Molecular Weight436.57 g/mol
Exact Mass436.28
IUPAC NameN,N,N',N'-tetrakis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine
SMILESCn1ccnc1CN(CCN(Cc1nccn1C)Cc1nccn1C)Cc1nccn1C
InChIInChI=1S/C22H32N10/c1-27-9-5-23-19(27)15-31(16-20-24-6-10-28(20)2)13-14-32(17-21-25-7-11-29(21)3)18-22-26-8-12-30(22)4/h5-12H,13-18H2,1-4H3
InChIKeyIPGFHHWZIQWLBJ-UHFFFAOYSA-N
XLogP1.33
TPSA77.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N,N',N'-tetrakis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine (CID 58225633) is N,N,N',N'-tetrakis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N',N'-tetrakis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine is Cn1ccnc1CN(CCN(Cc1nccn1C)Cc1nccn1C)Cc1nccn1C.
What is the InChIKey of N,N,N',N'-tetrakis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is IPGFHHWZIQWLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N10/c1-27-9-5-23-19(27)15-31(16-20-24-6-10-28(20)2)13-14-32(17-21-25-7-11-29(21)3)18-22-26-8-12-30(22)4/h5-12H,13-18H2,1-4H3.
What are the key properties of N,N,N',N'-tetrakis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine?
N,N,N',N'-tetrakis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 436.57 g/mol, XLogP of 1.33, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis[(1-methylimidazol-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 58225633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).