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

C23H19Cl2N3O — CID 4687209

IUPAC1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
SMILESCc1nc2ccccc2n1CC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C23H19Cl2N3O/c1-14-26-20-4-2-3-5-23(20)27(14)12-17(29)13-28-21-8-6-15(24)10-18(21)19-11-16(25)7-9-22(19)28/h2-11,17,29H,12-13H2,1H3
InChIKeyHHPWQHXESKTGSZ-UHFFFAOYSA-N
MW424.33 g/mol
LogP5.82
Rot. Bonds4

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

1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylbenzimidazol-1-yl)propan-2-ol (PubChem CID 4687209) has the molecular formula C23H19Cl2N3O and a molecular weight of 424.33 g/mol. Its IUPAC name is 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
PubChem CID4687209
Molecular FormulaC23H19Cl2N3O
Molecular Weight424.33 g/mol
Exact Mass423.09
IUPAC Name1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
SMILESCc1nc2ccccc2n1CC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C23H19Cl2N3O/c1-14-26-20-4-2-3-5-23(20)27(14)12-17(29)13-28-21-8-6-15(24)10-18(21)19-11-16(25)7-9-22(19)28/h2-11,17,29H,12-13H2,1H3
InChIKeyHHPWQHXESKTGSZ-UHFFFAOYSA-N
XLogP5.82
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.33
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylbenzimidazol-1-yl)propan-2-ol (CID 4687209) is 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylbenzimidazol-1-yl)propan-2-ol is Cc1nc2ccccc2n1CC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is HHPWQHXESKTGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O/c1-14-26-20-4-2-3-5-23(20)27(14)12-17(29)13-28-21-8-6-15(24)10-18(21)19-11-16(25)7-9-22(19)28/h2-11,17,29H,12-13H2,1H3.
What are the key properties of 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 424.33 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 4687209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).