chloro-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]phosphane

C11H20ClN2P — CID 101366115

IUPACchloro-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]phosphane
SMILESCc1c(C)n(C(C)C)c(=PCl)n1C(C)C
InChIInChI=1S/C11H20ClN2P/c1-7(2)13-9(5)10(6)14(8(3)4)11(13)15-12/h7-8H,1-6H3
InChIKeyXWSKVDMPGAJXQJ-UHFFFAOYSA-N
MW246.72 g/mol
LogP4.70
Rot. Bonds2

About chloro-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]phosphane

chloro-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]phosphane (PubChem CID 101366115) has the molecular formula C11H20ClN2P and a molecular weight of 246.72 g/mol. Its IUPAC name is chloro-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]phosphane.

Molecular Properties

Compound Namechloro-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]phosphane
PubChem CID101366115
Molecular FormulaC11H20ClN2P
Molecular Weight246.72 g/mol
Exact Mass246.11
IUPAC Namechloro-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]phosphane
SMILESCc1c(C)n(C(C)C)c(=PCl)n1C(C)C
InChIInChI=1S/C11H20ClN2P/c1-7(2)13-9(5)10(6)14(8(3)4)11(13)15-12/h7-8H,1-6H3
InChIKeyXWSKVDMPGAJXQJ-UHFFFAOYSA-N
XLogP4.70
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]phosphane?
The IUPAC name of chloro-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]phosphane (CID 101366115) is chloro-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]phosphane.
What is the SMILES notation for chloro-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]phosphane?
The canonical SMILES for chloro-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]phosphane is Cc1c(C)n(C(C)C)c(=PCl)n1C(C)C.
What is the InChIKey of chloro-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]phosphane?
The InChIKey is XWSKVDMPGAJXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN2P/c1-7(2)13-9(5)10(6)14(8(3)4)11(13)15-12/h7-8H,1-6H3.
What are the key properties of chloro-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]phosphane?
chloro-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]phosphane has a molecular weight of 246.72 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-ylidene]phosphane is sourced from PubChem (CID 101366115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).