6,8-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine

C14H15Cl2N3O — CID 65230413

IUPAC6,8-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESClc1cc(Cl)c2c(c1)C(NCCc1cnc[nH]1)CCO2
InChIInChI=1S/C14H15Cl2N3O/c15-9-5-11-13(2-4-20-14(11)12(16)6-9)18-3-1-10-7-17-8-19-10/h5-8,13,18H,1-4H2,(H,17,19)
InChIKeyUTGQARXABGSWPU-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.37
Rot. Bonds4

About 6,8-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine

6,8-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 65230413) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 6,8-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6,8-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID65230413
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name6,8-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESClc1cc(Cl)c2c(c1)C(NCCc1cnc[nH]1)CCO2
InChIInChI=1S/C14H15Cl2N3O/c15-9-5-11-13(2-4-20-14(11)12(16)6-9)18-3-1-10-7-17-8-19-10/h5-8,13,18H,1-4H2,(H,17,19)
InChIKeyUTGQARXABGSWPU-UHFFFAOYSA-N
XLogP3.37
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6,8-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine (CID 65230413) is 6,8-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6,8-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6,8-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine is Clc1cc(Cl)c2c(c1)C(NCCc1cnc[nH]1)CCO2.
What is the InChIKey of 6,8-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is UTGQARXABGSWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c15-9-5-11-13(2-4-20-14(11)12(16)6-9)18-3-1-10-7-17-8-19-10/h5-8,13,18H,1-4H2,(H,17,19).
What are the key properties of 6,8-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine?
6,8-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 312.20 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 65230413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).