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

C19H17Cl2N3O — CID 2854641

IUPAC1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylimidazol-1-yl)propan-2-ol
SMILESCc1nccn1CC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H17Cl2N3O/c1-12-22-6-7-23(12)10-15(25)11-24-18-4-2-13(20)8-16(18)17-9-14(21)3-5-19(17)24/h2-9,15,25H,10-11H2,1H3
InChIKeyUBSZWJQSQYZWPU-UHFFFAOYSA-N
MW374.27 g/mol
LogP4.67
Rot. Bonds4

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

1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylimidazol-1-yl)propan-2-ol (PubChem CID 2854641) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylimidazol-1-yl)propan-2-ol
PubChem CID2854641
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC Name1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylimidazol-1-yl)propan-2-ol
SMILESCc1nccn1CC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C19H17Cl2N3O/c1-12-22-6-7-23(12)10-15(25)11-24-18-4-2-13(20)8-16(18)17-9-14(21)3-5-19(17)24/h2-9,15,25H,10-11H2,1H3
InChIKeyUBSZWJQSQYZWPU-UHFFFAOYSA-N
XLogP4.67
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 54.67
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-methylimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylimidazol-1-yl)propan-2-ol (CID 2854641) is 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylimidazol-1-yl)propan-2-ol is Cc1nccn1CC(O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylimidazol-1-yl)propan-2-ol?
The InChIKey is UBSZWJQSQYZWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c1-12-22-6-7-23(12)10-15(25)11-24-18-4-2-13(20)8-16(18)17-9-14(21)3-5-19(17)24/h2-9,15,25H,10-11H2,1H3.
What are the key properties of 1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylimidazol-1-yl)propan-2-ol?
1-(3,6-dichlorocarbazol-9-yl)-3-(2-methylimidazol-1-yl)propan-2-ol has a molecular weight of 374.27 g/mol, XLogP of 4.67, 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-methylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 2854641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).