N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-(1H-imidazol-5-yl)butan-1-amine

C27H33N5 — CID 11235688

IUPACN-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-(1H-imidazol-5-yl)butan-1-amine
SMILESc1ccc(C(CCc2ncc(CCNCCCCc3cnc[nH]3)[nH]2)c2ccccc2)cc1
InChIInChI=1S/C27H33N5/c1-3-9-22(10-4-1)26(23-11-5-2-6-12-23)14-15-27-30-20-25(32-27)16-18-28-17-8-7-13-24-19-29-21-31-24/h1-6,9-12,19-21,26,28H,7-8,13-18H2,(H,29,31)(H,30,32)
InChIKeyDBKIPTDCISZMBW-UHFFFAOYSA-N
MW427.60 g/mol
LogP5.05
Rot. Bonds13

About N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-(1H-imidazol-5-yl)butan-1-amine

N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-(1H-imidazol-5-yl)butan-1-amine (PubChem CID 11235688) has the molecular formula C27H33N5 and a molecular weight of 427.60 g/mol. Its IUPAC name is N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-(1H-imidazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-(1H-imidazol-5-yl)butan-1-amine
PubChem CID11235688
Molecular FormulaC27H33N5
Molecular Weight427.60 g/mol
Exact Mass427.27
IUPAC NameN-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-(1H-imidazol-5-yl)butan-1-amine
SMILESc1ccc(C(CCc2ncc(CCNCCCCc3cnc[nH]3)[nH]2)c2ccccc2)cc1
InChIInChI=1S/C27H33N5/c1-3-9-22(10-4-1)26(23-11-5-2-6-12-23)14-15-27-30-20-25(32-27)16-18-28-17-8-7-13-24-19-29-21-31-24/h1-6,9-12,19-21,26,28H,7-8,13-18H2,(H,29,31)(H,30,32)
InChIKeyDBKIPTDCISZMBW-UHFFFAOYSA-N
XLogP5.05
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.60
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-(1H-imidazol-5-yl)butan-1-amine?
The IUPAC name of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-(1H-imidazol-5-yl)butan-1-amine (CID 11235688) is N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-(1H-imidazol-5-yl)butan-1-amine.
What is the SMILES notation for N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-(1H-imidazol-5-yl)butan-1-amine?
The canonical SMILES for N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-(1H-imidazol-5-yl)butan-1-amine is c1ccc(C(CCc2ncc(CCNCCCCc3cnc[nH]3)[nH]2)c2ccccc2)cc1.
What is the InChIKey of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-(1H-imidazol-5-yl)butan-1-amine?
The InChIKey is DBKIPTDCISZMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5/c1-3-9-22(10-4-1)26(23-11-5-2-6-12-23)14-15-27-30-20-25(32-27)16-18-28-17-8-7-13-24-19-29-21-31-24/h1-6,9-12,19-21,26,28H,7-8,13-18H2,(H,29,31)(H,30,32).
What are the key properties of N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-(1H-imidazol-5-yl)butan-1-amine?
N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-(1H-imidazol-5-yl)butan-1-amine has a molecular weight of 427.60 g/mol, XLogP of 5.05, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,3-diphenylpropyl)-1H-imidazol-5-yl]ethyl]-4-(1H-imidazol-5-yl)butan-1-amine is sourced from PubChem (CID 11235688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).