(2R)-1-(benzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

C22H17Cl2N3O — CID 981301

IUPAC(2R)-1-(benzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESO[C@@H](Cn1cnc2ccccc21)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C22H17Cl2N3O/c23-14-5-7-20-17(9-14)18-10-15(24)6-8-21(18)27(20)12-16(28)11-26-13-25-19-3-1-2-4-22(19)26/h1-10,13,16,28H,11-12H2/t16-/m0/s1
InChIKeyARUSLJFAKNDVHQ-INIZCTEOSA-N
MW410.30 g/mol
LogP5.51
Rot. Bonds4

About (2R)-1-(benzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

(2R)-1-(benzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (PubChem CID 981301) has the molecular formula C22H17Cl2N3O and a molecular weight of 410.30 g/mol. Its IUPAC name is (2R)-1-(benzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(benzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
PubChem CID981301
Molecular FormulaC22H17Cl2N3O
Molecular Weight410.30 g/mol
Exact Mass409.07
IUPAC Name(2R)-1-(benzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESO[C@@H](Cn1cnc2ccccc21)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C22H17Cl2N3O/c23-14-5-7-20-17(9-14)18-10-15(24)6-8-21(18)27(20)12-16(28)11-26-13-25-19-3-1-2-4-22(19)26/h1-10,13,16,28H,11-12H2/t16-/m0/s1
InChIKeyARUSLJFAKNDVHQ-INIZCTEOSA-N
XLogP5.51
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.30
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2836174

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The IUPAC name of (2R)-1-(benzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (CID 981301) is (2R)-1-(benzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(benzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(benzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is O[C@@H](Cn1cnc2ccccc21)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of (2R)-1-(benzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The InChIKey is ARUSLJFAKNDVHQ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H17Cl2N3O/c23-14-5-7-20-17(9-14)18-10-15(24)6-8-21(18)27(20)12-16(28)11-26-13-25-19-3-1-2-4-22(19)26/h1-10,13,16,28H,11-12H2/t16-/m0/s1.
What are the key properties of (2R)-1-(benzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
(2R)-1-(benzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol has a molecular weight of 410.30 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzimidazol-1-yl)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 981301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).