bis(1-methylimidazole);osmium;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine

C26H30N8Os — CID 171575301

IUPACbis(1-methylimidazole);osmium;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
SMILESCn1ccnc1.Cn1ccnc1.[Os].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C18H18N4.2C4H6N2.Os/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;2*1-6-3-2-5-4-6;/h1-12H,13-15H2;2*2-4H,1H3;
InChIKeyGNFDVEQWSRGMSD-UHFFFAOYSA-N
MW644.81 g/mol
LogP3.91
Rot. Bonds6

About bis(1-methylimidazole);osmium;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine

bis(1-methylimidazole);osmium;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine (PubChem CID 171575301) has the molecular formula C26H30N8Os and a molecular weight of 644.81 g/mol. Its IUPAC name is bis(1-methylimidazole);osmium;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Namebis(1-methylimidazole);osmium;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
PubChem CID171575301
Molecular FormulaC26H30N8Os
Molecular Weight644.81 g/mol
Exact Mass646.22
IUPAC Namebis(1-methylimidazole);osmium;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
SMILESCn1ccnc1.Cn1ccnc1.[Os].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/C18H18N4.2C4H6N2.Os/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;2*1-6-3-2-5-4-6;/h1-12H,13-15H2;2*2-4H,1H3;
InChIKeyGNFDVEQWSRGMSD-UHFFFAOYSA-N
XLogP3.91
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500644.81
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(1-methylimidazole);osmium;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine?
The IUPAC name of bis(1-methylimidazole);osmium;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine (CID 171575301) is bis(1-methylimidazole);osmium;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for bis(1-methylimidazole);osmium;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for bis(1-methylimidazole);osmium;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine is Cn1ccnc1.Cn1ccnc1.[Os].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.
What is the InChIKey of bis(1-methylimidazole);osmium;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine?
The InChIKey is GNFDVEQWSRGMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4.2C4H6N2.Os/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;2*1-6-3-2-5-4-6;/h1-12H,13-15H2;2*2-4H,1H3;.
What are the key properties of bis(1-methylimidazole);osmium;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine?
bis(1-methylimidazole);osmium;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine has a molecular weight of 644.81 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methylimidazole);osmium;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 171575301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).