2-[2-(9-ethylcarbazol-3-yl)imidazol-1-yl]propane-1,3-diol

C20H21N3O2 — CID 56871334

IUPAC2-[2-(9-ethylcarbazol-3-yl)imidazol-1-yl]propane-1,3-diol
SMILESCCn1c2ccccc2c2cc(-c3nccn3C(CO)CO)ccc21
InChIInChI=1S/C20H21N3O2/c1-2-22-18-6-4-3-5-16(18)17-11-14(7-8-19(17)22)20-21-9-10-23(20)15(12-24)13-25/h3-11,15,24-25H,2,12-13H2,1H3
InChIKeyCUMHSGNHUMVOSB-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.20
Rot. Bonds5

About 2-[2-(9-ethylcarbazol-3-yl)imidazol-1-yl]propane-1,3-diol

2-[2-(9-ethylcarbazol-3-yl)imidazol-1-yl]propane-1,3-diol (PubChem CID 56871334) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[2-(9-ethylcarbazol-3-yl)imidazol-1-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[2-(9-ethylcarbazol-3-yl)imidazol-1-yl]propane-1,3-diol
PubChem CID56871334
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-[2-(9-ethylcarbazol-3-yl)imidazol-1-yl]propane-1,3-diol
SMILESCCn1c2ccccc2c2cc(-c3nccn3C(CO)CO)ccc21
InChIInChI=1S/C20H21N3O2/c1-2-22-18-6-4-3-5-16(18)17-11-14(7-8-19(17)22)20-21-9-10-23(20)15(12-24)13-25/h3-11,15,24-25H,2,12-13H2,1H3
InChIKeyCUMHSGNHUMVOSB-UHFFFAOYSA-N
XLogP3.20
TPSA63.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(9-ethylcarbazol-3-yl)imidazol-1-yl]propane-1,3-diol?
The IUPAC name of 2-[2-(9-ethylcarbazol-3-yl)imidazol-1-yl]propane-1,3-diol (CID 56871334) is 2-[2-(9-ethylcarbazol-3-yl)imidazol-1-yl]propane-1,3-diol.
What is the SMILES notation for 2-[2-(9-ethylcarbazol-3-yl)imidazol-1-yl]propane-1,3-diol?
The canonical SMILES for 2-[2-(9-ethylcarbazol-3-yl)imidazol-1-yl]propane-1,3-diol is CCn1c2ccccc2c2cc(-c3nccn3C(CO)CO)ccc21.
What is the InChIKey of 2-[2-(9-ethylcarbazol-3-yl)imidazol-1-yl]propane-1,3-diol?
The InChIKey is CUMHSGNHUMVOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-22-18-6-4-3-5-16(18)17-11-14(7-8-19(17)22)20-21-9-10-23(20)15(12-24)13-25/h3-11,15,24-25H,2,12-13H2,1H3.
What are the key properties of 2-[2-(9-ethylcarbazol-3-yl)imidazol-1-yl]propane-1,3-diol?
2-[2-(9-ethylcarbazol-3-yl)imidazol-1-yl]propane-1,3-diol has a molecular weight of 335.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9-ethylcarbazol-3-yl)imidazol-1-yl]propane-1,3-diol is sourced from PubChem (CID 56871334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).