2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride

C29H34Cl2N4 — CID 162469328

IUPAC2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
SMILESCc1cc(CCc2ccc(C3=NCCN3)cc2)cc(CCc2ccc(C3=NCCN3)cc2)c1.Cl.Cl
InChIInChI=1S/C29H32N4.2ClH/c1-21-18-24(4-2-22-6-10-26(11-7-22)28-30-14-15-31-28)20-25(19-21)5-3-23-8-12-27(13-9-23)29-32-16-17-33-29;;/h6-13,18-20H,2-5,14-17H2,1H3,(H,30,31)(H,32,33);2*1H
InChIKeyVHQDARVCGDTDMP-UHFFFAOYSA-N
MW509.53 g/mol
LogP5.11
Rot. Bonds8

About 2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride

2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride (PubChem CID 162469328) has the molecular formula C29H34Cl2N4 and a molecular weight of 509.53 g/mol. Its IUPAC name is 2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride.

Molecular Properties

Compound Name2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
PubChem CID162469328
Molecular FormulaC29H34Cl2N4
Molecular Weight509.53 g/mol
Exact Mass508.22
IUPAC Name2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
SMILESCc1cc(CCc2ccc(C3=NCCN3)cc2)cc(CCc2ccc(C3=NCCN3)cc2)c1.Cl.Cl
InChIInChI=1S/C29H32N4.2ClH/c1-21-18-24(4-2-22-6-10-26(11-7-22)28-30-14-15-31-28)20-25(19-21)5-3-23-8-12-27(13-9-23)29-32-16-17-33-29;;/h6-13,18-20H,2-5,14-17H2,1H3,(H,30,31)(H,32,33);2*1H
InChIKeyVHQDARVCGDTDMP-UHFFFAOYSA-N
XLogP5.11
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.53
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The IUPAC name of 2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride (CID 162469328) is 2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride.
What is the SMILES notation for 2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The canonical SMILES for 2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride is Cc1cc(CCc2ccc(C3=NCCN3)cc2)cc(CCc2ccc(C3=NCCN3)cc2)c1.Cl.Cl.
What is the InChIKey of 2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The InChIKey is VHQDARVCGDTDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4.2ClH/c1-21-18-24(4-2-22-6-10-26(11-7-22)28-30-14-15-31-28)20-25(19-21)5-3-23-8-12-27(13-9-23)29-32-16-17-33-29;;/h6-13,18-20H,2-5,14-17H2,1H3,(H,30,31)(H,32,33);2*1H.
What are the key properties of 2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride has a molecular weight of 509.53 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride is sourced from PubChem (CID 162469328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).