4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydrobenzo[h]chromen-2-imine

C19H15Cl2NO — CID 57184658

IUPAC4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydrobenzo[h]chromen-2-imine
SMILES[H]/N=C1\CC(c2ccc(Cl)c(Cl)c2)C2=C(O1)c1ccccc1CC2
InChIInChI=1S/C19H15Cl2NO/c20-16-8-6-12(9-17(16)21)15-10-18(22)23-19-13-4-2-1-3-11(13)5-7-14(15)19/h1-4,6,8-9,15,22H,5,7,10H2/b22-18+
InChIKeyUKGJHNPRMQAWKV-RELWKKBWSA-N
MW344.24 g/mol
LogP5.83
Rot. Bonds1

About 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydrobenzo[h]chromen-2-imine

4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydrobenzo[h]chromen-2-imine (PubChem CID 57184658) has the molecular formula C19H15Cl2NO and a molecular weight of 344.24 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydrobenzo[h]chromen-2-imine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydrobenzo[h]chromen-2-imine
PubChem CID57184658
Molecular FormulaC19H15Cl2NO
Molecular Weight344.24 g/mol
Exact Mass343.05
IUPAC Name4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydrobenzo[h]chromen-2-imine
SMILES[H]/N=C1\CC(c2ccc(Cl)c(Cl)c2)C2=C(O1)c1ccccc1CC2
InChIInChI=1S/C19H15Cl2NO/c20-16-8-6-12(9-17(16)21)15-10-18(22)23-19-13-4-2-1-3-11(13)5-7-14(15)19/h1-4,6,8-9,15,22H,5,7,10H2/b22-18+
InChIKeyUKGJHNPRMQAWKV-RELWKKBWSA-N
XLogP5.83
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.24
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydrobenzo[h]chromen-2-imine?
The IUPAC name of 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydrobenzo[h]chromen-2-imine (CID 57184658) is 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydrobenzo[h]chromen-2-imine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydrobenzo[h]chromen-2-imine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydrobenzo[h]chromen-2-imine is [H]/N=C1\CC(c2ccc(Cl)c(Cl)c2)C2=C(O1)c1ccccc1CC2.
What is the InChIKey of 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydrobenzo[h]chromen-2-imine?
The InChIKey is UKGJHNPRMQAWKV-RELWKKBWSA-N. The full InChI is InChI=1S/C19H15Cl2NO/c20-16-8-6-12(9-17(16)21)15-10-18(22)23-19-13-4-2-1-3-11(13)5-7-14(15)19/h1-4,6,8-9,15,22H,5,7,10H2/b22-18+.
What are the key properties of 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydrobenzo[h]chromen-2-imine?
4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydrobenzo[h]chromen-2-imine has a molecular weight of 344.24 g/mol, XLogP of 5.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydrobenzo[h]chromen-2-imine is sourced from PubChem (CID 57184658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).