[1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol

C12H12Cl2N2O — CID 962459

IUPAC[1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1C[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C12H12Cl2N2O/c13-12(14)5-8(12)6-16-10-4-2-1-3-9(10)15-11(16)7-17/h1-4,8,17H,5-7H2/t8-/m0/s1
InChIKeyQZYZOMIYXQOMKS-QMMMGPOBSA-N
MW271.15 g/mol
LogP2.72
Rot. Bonds3

About [1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol

[1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol (PubChem CID 962459) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is [1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol
PubChem CID962459
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name[1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1C[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C12H12Cl2N2O/c13-12(14)5-8(12)6-16-10-4-2-1-3-9(10)15-11(16)7-17/h1-4,8,17H,5-7H2/t8-/m0/s1
InChIKeyQZYZOMIYXQOMKS-QMMMGPOBSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.72
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

2-[(4-chlorophenyl)methyl]-1-[(2,2-dichlorocyclopropyl)methyl]benzimidazole
CID 18878391
2-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]propan-2-ol
CID 40823673
[1-[2-(1-adamantyl)ethyl]benzimidazol-2-yl]methanol
CID 112787651
[1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol
CID 71649897
(4S)-4-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 40634361
[1-(methoxymethyl)benzimidazol-2-yl]methanol
CID 1233949
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17479592
(1S)-1-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 94379793
[1-[(E)-3-cyclohexylprop-2-enyl]benzimidazol-2-yl]methanol
CID 134948990
2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 110899546
(1S)-1-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol
CID 94379798
2-[1-(oxiran-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 63639478

Frequently Asked Questions

What is the IUPAC name of [1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol?
The IUPAC name of [1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol (CID 962459) is [1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol is OCc1nc2ccccc2n1C[C@@H]1CC1(Cl)Cl.
What is the InChIKey of [1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol?
The InChIKey is QZYZOMIYXQOMKS-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c13-12(14)5-8(12)6-16-10-4-2-1-3-9(10)15-11(16)7-17/h1-4,8,17H,5-7H2/t8-/m0/s1.
What are the key properties of [1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol?
[1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol has a molecular weight of 271.15 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1S)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 962459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).