1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol

C11H11ClF2N2O — CID 112575265

IUPAC1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol
SMILESCn1c(CC(O)C(F)(F)Cl)nc2ccccc21
InChIInChI=1S/C11H11ClF2N2O/c1-16-8-5-3-2-4-7(8)15-10(16)6-9(17)11(12,13)14/h2-5,9,17H,6H2,1H3
InChIKeyBRIUSRMMIGSJBN-UHFFFAOYSA-N
MW260.67 g/mol
LogP2.31
Rot. Bonds3

About 1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol

1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol (PubChem CID 112575265) has the molecular formula C11H11ClF2N2O and a molecular weight of 260.67 g/mol. Its IUPAC name is 1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol
PubChem CID112575265
Molecular FormulaC11H11ClF2N2O
Molecular Weight260.67 g/mol
Exact Mass260.05
IUPAC Name1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol
SMILESCn1c(CC(O)C(F)(F)Cl)nc2ccccc21
InChIInChI=1S/C11H11ClF2N2O/c1-16-8-5-3-2-4-7(8)15-10(16)6-9(17)11(12,13)14/h2-5,9,17H,6H2,1H3
InChIKeyBRIUSRMMIGSJBN-UHFFFAOYSA-N
XLogP2.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.67
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79953293
3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 79872192
N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007583
1-(3,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79754597
1-(3-chloro-2-fluorophenyl)-2-(1-methylbenzimidazol-2-yl)ethanol
CID 79756071
2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
CID 170893125
2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole
CID 79751041
1-(1-methylbenzimidazol-2-yl)-3-(4-methylphenyl)propan-2-ol
CID 79755900

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol (CID 112575265) is 1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol is Cn1c(CC(O)C(F)(F)Cl)nc2ccccc21.
What is the InChIKey of 1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
The InChIKey is BRIUSRMMIGSJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N2O/c1-16-8-5-3-2-4-7(8)15-10(16)6-9(17)11(12,13)14/h2-5,9,17H,6H2,1H3.
What are the key properties of 1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol?
1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol has a molecular weight of 260.67 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 112575265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).