CID 11422349

C24H32BiCl2N2O — CID 11422349

IUPAC—
SMILESC1CCC2=NCCCN2CC1.COc1ccc([Bi](Cl)(Cl)c2ccccc2C)c(C)c1
InChIInChI=1S/C9H16N2.C8H9O.C7H7.Bi.2ClH/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-7-4-3-5-8(6-7)9-2;1-7-5-3-2-4-6-7;;;/h1-8H2;3,5-6H,1-2H3;2-5H,1H3;;2*1H/q;;;+2;;/p-2
InChIKeyHXMJVHKCJFDZQM-UHFFFAOYSA-L
MW644.42 g/mol
LogP5.01
Rot. Bonds3

About CID 11422349

CID 11422349 (PubChem CID 11422349) has the molecular formula C24H32BiCl2N2O and a molecular weight of 644.42 g/mol.

Molecular Properties

Compound NameCID 11422349
PubChem CID11422349
Molecular FormulaC24H32BiCl2N2O
Molecular Weight644.42 g/mol
Exact Mass643.17
IUPAC Name—
SMILESC1CCC2=NCCCN2CC1.COc1ccc([Bi](Cl)(Cl)c2ccccc2C)c(C)c1
InChIInChI=1S/C9H16N2.C8H9O.C7H7.Bi.2ClH/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-7-4-3-5-8(6-7)9-2;1-7-5-3-2-4-6-7;;;/h1-8H2;3,5-6H,1-2H3;2-5H,1H3;;2*1H/q;;;+2;;/p-2
InChIKeyHXMJVHKCJFDZQM-UHFFFAOYSA-L
XLogP5.01
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.42
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 11422349?
The IUPAC name of CID 11422349 (CID 11422349) is not available.
What is the SMILES notation for CID 11422349?
The canonical SMILES for CID 11422349 is C1CCC2=NCCCN2CC1.COc1ccc([Bi](Cl)(Cl)c2ccccc2C)c(C)c1.
What is the InChIKey of CID 11422349?
The InChIKey is HXMJVHKCJFDZQM-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H16N2.C8H9O.C7H7.Bi.2ClH/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-7-4-3-5-8(6-7)9-2;1-7-5-3-2-4-6-7;;;/h1-8H2;3,5-6H,1-2H3;2-5H,1H3;;2*1H/q;;;+2;;/p-2.
What are the key properties of CID 11422349?
CID 11422349 has a molecular weight of 644.42 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11422349 is sourced from PubChem (CID 11422349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).