2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine

C16H15Cl2FN4 — CID 70530290

IUPAC2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine
SMILESFc1ccc(CNc2cc(Cl)c(NC3=NCCN3)c(Cl)c2)cc1
InChIInChI=1S/C16H15Cl2FN4/c17-13-7-12(22-9-10-1-3-11(19)4-2-10)8-14(18)15(13)23-16-20-5-6-21-16/h1-4,7-8,22H,5-6,9H2,(H2,20,21,23)
InChIKeyRFPCNXBVUGRYJZ-UHFFFAOYSA-N
MW353.23 g/mol
LogP4.12
Rot. Bonds4

About 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine

2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine (PubChem CID 70530290) has the molecular formula C16H15Cl2FN4 and a molecular weight of 353.23 g/mol. Its IUPAC name is 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine
PubChem CID70530290
Molecular FormulaC16H15Cl2FN4
Molecular Weight353.23 g/mol
Exact Mass352.07
IUPAC Name2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine
SMILESFc1ccc(CNc2cc(Cl)c(NC3=NCCN3)c(Cl)c2)cc1
InChIInChI=1S/C16H15Cl2FN4/c17-13-7-12(22-9-10-1-3-11(19)4-2-10)8-14(18)15(13)23-16-20-5-6-21-16/h1-4,7-8,22H,5-6,9H2,(H2,20,21,23)
InChIKeyRFPCNXBVUGRYJZ-UHFFFAOYSA-N
XLogP4.12
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine (CID 70530290) is 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine is Fc1ccc(CNc2cc(Cl)c(NC3=NCCN3)c(Cl)c2)cc1.
What is the InChIKey of 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine?
The InChIKey is RFPCNXBVUGRYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN4/c17-13-7-12(22-9-10-1-3-11(19)4-2-10)8-14(18)15(13)23-16-20-5-6-21-16/h1-4,7-8,22H,5-6,9H2,(H2,20,21,23).
What are the key properties of 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine?
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine has a molecular weight of 353.23 g/mol, XLogP of 4.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-[(4-fluorophenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 70530290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).