2-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]propan-2-ol

C14H16Cl2N2O — CID 40823673

IUPAC2-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]propan-2-ol
SMILESCC(C)(O)c1nc2ccccc2n1C[C@H]1CC1(Cl)Cl
InChIInChI=1S/C14H16Cl2N2O/c1-13(2,19)12-17-10-5-3-4-6-11(10)18(12)8-9-7-14(9,15)16/h3-6,9,19H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyCHSADCVKNIDBPU-SECBINFHSA-N
MW299.20 g/mol
LogP3.46
Rot. Bonds3

About 2-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]propan-2-ol

2-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]propan-2-ol (PubChem CID 40823673) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is 2-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]propan-2-ol
PubChem CID40823673
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name2-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]propan-2-ol
SMILESCC(C)(O)c1nc2ccccc2n1C[C@H]1CC1(Cl)Cl
InChIInChI=1S/C14H16Cl2N2O/c1-13(2,19)12-17-10-5-3-4-6-11(10)18(12)8-9-7-14(9,15)16/h3-6,9,19H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyCHSADCVKNIDBPU-SECBINFHSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]propan-2-ol?
The IUPAC name of 2-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]propan-2-ol (CID 40823673) is 2-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]propan-2-ol is CC(C)(O)c1nc2ccccc2n1C[C@H]1CC1(Cl)Cl.
What is the InChIKey of 2-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]propan-2-ol?
The InChIKey is CHSADCVKNIDBPU-SECBINFHSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c1-13(2,19)12-17-10-5-3-4-6-11(10)18(12)8-9-7-14(9,15)16/h3-6,9,19H,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of 2-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]propan-2-ol?
2-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]propan-2-ol has a molecular weight of 299.20 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1R)-2,2-dichlorocyclopropyl]methyl]benzimidazol-2-yl]propan-2-ol is sourced from PubChem (CID 40823673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).