4-N-benzyl-2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine

C16H16Cl2N4 — CID 70531112

IUPAC4-N-benzyl-2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
SMILESClc1cc(NCc2ccccc2)cc(Cl)c1NC1=NCCN1
InChIInChI=1S/C16H16Cl2N4/c17-13-8-12(21-10-11-4-2-1-3-5-11)9-14(18)15(13)22-16-19-6-7-20-16/h1-5,8-9,21H,6-7,10H2,(H2,19,20,22)
InChIKeyBRCRRCOODMQNQI-UHFFFAOYSA-N
MW335.24 g/mol
LogP3.98
Rot. Bonds4

About 4-N-benzyl-2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine

4-N-benzyl-2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine (PubChem CID 70531112) has the molecular formula C16H16Cl2N4 and a molecular weight of 335.24 g/mol. Its IUPAC name is 4-N-benzyl-2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
PubChem CID70531112
Molecular FormulaC16H16Cl2N4
Molecular Weight335.24 g/mol
Exact Mass334.08
IUPAC Name4-N-benzyl-2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
SMILESClc1cc(NCc2ccccc2)cc(Cl)c1NC1=NCCN1
InChIInChI=1S/C16H16Cl2N4/c17-13-8-12(21-10-11-4-2-1-3-5-11)9-14(18)15(13)22-16-19-6-7-20-16/h1-5,8-9,21H,6-7,10H2,(H2,19,20,22)
InChIKeyBRCRRCOODMQNQI-UHFFFAOYSA-N
XLogP3.98
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-benzyl-2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine (CID 70531112) is 4-N-benzyl-2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-benzyl-2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-benzyl-2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine is Clc1cc(NCc2ccccc2)cc(Cl)c1NC1=NCCN1.
What is the InChIKey of 4-N-benzyl-2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine?
The InChIKey is BRCRRCOODMQNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4/c17-13-8-12(21-10-11-4-2-1-3-5-11)9-14(18)15(13)22-16-19-6-7-20-16/h1-5,8-9,21H,6-7,10H2,(H2,19,20,22).
What are the key properties of 4-N-benzyl-2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine?
4-N-benzyl-2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine has a molecular weight of 335.24 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 70531112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).