tetrakis(2,4-dimethylimidazol-1-yl)boranuide

C20H28BN8- — CID 139089171

IUPACtetrakis(2,4-dimethylimidazol-1-yl)boranuide
SMILESCc1cn([B-](n2cc(C)nc2C)(n2cc(C)nc2C)n2cc(C)nc2C)c(C)n1
InChIInChI=1S/C20H28BN8/c1-13-9-26(17(5)22-13)21(27-10-14(2)23-18(27)6,28-11-15(3)24-19(28)7)29-12-16(4)25-20(29)8/h9-12H,1-8H3/q-1
InChIKeyPWJFCZYZMJROLO-UHFFFAOYSA-N
MW391.31 g/mol
LogP2.87
Rot. Bonds4

About tetrakis(2,4-dimethylimidazol-1-yl)boranuide

tetrakis(2,4-dimethylimidazol-1-yl)boranuide (PubChem CID 139089171) has the molecular formula C20H28BN8- and a molecular weight of 391.31 g/mol. Its IUPAC name is tetrakis(2,4-dimethylimidazol-1-yl)boranuide.

Molecular Properties

Compound Nametetrakis(2,4-dimethylimidazol-1-yl)boranuide
PubChem CID139089171
Molecular FormulaC20H28BN8-
Molecular Weight391.31 g/mol
Exact Mass391.25
IUPAC Nametetrakis(2,4-dimethylimidazol-1-yl)boranuide
SMILESCc1cn([B-](n2cc(C)nc2C)(n2cc(C)nc2C)n2cc(C)nc2C)c(C)n1
InChIInChI=1S/C20H28BN8/c1-13-9-26(17(5)22-13)21(27-10-14(2)23-18(27)6,28-11-15(3)24-19(28)7)29-12-16(4)25-20(29)8/h9-12H,1-8H3/q-1
InChIKeyPWJFCZYZMJROLO-UHFFFAOYSA-N
XLogP2.87
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;1,2,4-trimethylimidazole
CID 174938383
2,4-dimethylimidazole-1-sulfonyl chloride
CID 140532409
1-butyl-2,4-dimethylimidazole
CID 69009415
2,4-dimethylimidazole-1-carbaldehyde
CID 54491459
1,2,4-trimethylimidazole;bis(1,3,5-trimethyl-1,2,4-triazole)
CID 158999651
2,4-dimethyl-1-pentylimidazole
CID 134592157
1-(3-bromopropyl)-2,4-dimethylimidazole
CID 174851128
2,4-dimethylimidazole-1-carbonyl chloride
CID 87805057
1-(2,4-dimethylimidazol-1-yl)-N,N-dimethylmethanamine
CID 86259383
2-fluoro-1,4-dimethylimidazole
CID 144946184
1,3,5-trimethylpyrazin-2-one
CID 20646799
2-methylimidazo[1,2-b][1,2]oxazole
CID 176720817

Frequently Asked Questions

What is the IUPAC name of tetrakis(2,4-dimethylimidazol-1-yl)boranuide?
The IUPAC name of tetrakis(2,4-dimethylimidazol-1-yl)boranuide (CID 139089171) is tetrakis(2,4-dimethylimidazol-1-yl)boranuide.
What is the SMILES notation for tetrakis(2,4-dimethylimidazol-1-yl)boranuide?
The canonical SMILES for tetrakis(2,4-dimethylimidazol-1-yl)boranuide is Cc1cn([B-](n2cc(C)nc2C)(n2cc(C)nc2C)n2cc(C)nc2C)c(C)n1.
What is the InChIKey of tetrakis(2,4-dimethylimidazol-1-yl)boranuide?
The InChIKey is PWJFCZYZMJROLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28BN8/c1-13-9-26(17(5)22-13)21(27-10-14(2)23-18(27)6,28-11-15(3)24-19(28)7)29-12-16(4)25-20(29)8/h9-12H,1-8H3/q-1.
What are the key properties of tetrakis(2,4-dimethylimidazol-1-yl)boranuide?
tetrakis(2,4-dimethylimidazol-1-yl)boranuide has a molecular weight of 391.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,4-dimethylimidazol-1-yl)boranuide is sourced from PubChem (CID 139089171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).