trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide

C11H13BF3N2- — CID 79753961

IUPACtrifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide
SMILESCCCn1c(C[B-](F)(F)F)nc2ccccc21
InChIInChI=1S/C11H13BF3N2/c1-2-7-17-10-6-4-3-5-9(10)16-11(17)8-12(13,14)15/h3-6H,2,7-8H2,1H3/q-1
InChIKeyOFERMBDHPORRQX-UHFFFAOYSA-N
MW241.05 g/mol
LogP3.38
Rot. Bonds4

About trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide

trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide (PubChem CID 79753961) has the molecular formula C11H13BF3N2- and a molecular weight of 241.05 g/mol. Its IUPAC name is trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide
PubChem CID79753961
Molecular FormulaC11H13BF3N2-
Molecular Weight241.05 g/mol
Exact Mass241.11
IUPAC Nametrifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide
SMILESCCCn1c(C[B-](F)(F)F)nc2ccccc21
InChIInChI=1S/C11H13BF3N2/c1-2-7-17-10-6-4-3-5-9(10)16-11(17)8-12(13,14)15/h3-6H,2,7-8H2,1H3/q-1
InChIKeyOFERMBDHPORRQX-UHFFFAOYSA-N
XLogP3.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.05
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol
CID 79753325
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 112565050
N,N-dimethyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 170866848
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021
N-methyl-6-[(1-propylbenzimidazol-2-yl)methyl]pyridazin-3-amine
CID 79755479
[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine
CID 105215870
2-[(4-fluoro-2-pyridinyl)methyl]-1-propylbenzimidazole
CID 102824508
3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 115781923
2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664

Frequently Asked Questions

What is the IUPAC name of trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide?
The IUPAC name of trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide (CID 79753961) is trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide.
What is the SMILES notation for trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide?
The canonical SMILES for trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide is CCCn1c(C[B-](F)(F)F)nc2ccccc21.
What is the InChIKey of trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide?
The InChIKey is OFERMBDHPORRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BF3N2/c1-2-7-17-10-6-4-3-5-9(10)16-11(17)8-12(13,14)15/h3-6H,2,7-8H2,1H3/q-1.
What are the key properties of trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide?
trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide has a molecular weight of 241.05 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide is sourced from PubChem (CID 79753961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).