1,1-bis(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine

C19H25N9 — CID 58225643

IUPAC1,1-bis(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CN(Cc1nccn1C)C(c1nccn1C)c1nccn1C
InChIInChI=1S/C19H25N9/c1-24-9-5-20-15(24)13-28(14-16-21-6-10-25(16)2)17(18-22-7-11-26(18)3)19-23-8-12-27(19)4/h5-12,17H,13-14H2,1-4H3
InChIKeyCJAOELMXEAJABU-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.41
Rot. Bonds7

About 1,1-bis(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine

1,1-bis(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 58225643) has the molecular formula C19H25N9 and a molecular weight of 379.47 g/mol. Its IUPAC name is 1,1-bis(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1,1-bis(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID58225643
Molecular FormulaC19H25N9
Molecular Weight379.47 g/mol
Exact Mass379.22
IUPAC Name1,1-bis(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCn1ccnc1CN(Cc1nccn1C)C(c1nccn1C)c1nccn1C
InChIInChI=1S/C19H25N9/c1-24-9-5-20-15(24)13-28(14-16-21-6-10-25(16)2)17(18-22-7-11-26(18)3)19-23-8-12-27(19)4/h5-12,17H,13-14H2,1-4H3
InChIKeyCJAOELMXEAJABU-UHFFFAOYSA-N
XLogP1.41
TPSA74.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1,1-bis(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine (CID 58225643) is 1,1-bis(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1,1-bis(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1,1-bis(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine is Cn1ccnc1CN(Cc1nccn1C)C(c1nccn1C)c1nccn1C.
What is the InChIKey of 1,1-bis(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is CJAOELMXEAJABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N9/c1-24-9-5-20-15(24)13-28(14-16-21-6-10-25(16)2)17(18-22-7-11-26(18)3)19-23-8-12-27(19)4/h5-12,17H,13-14H2,1-4H3.
What are the key properties of 1,1-bis(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine?
1,1-bis(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 379.47 g/mol, XLogP of 1.41, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(1-methylimidazol-2-yl)-N,N-bis[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 58225643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).