N-(3,3-diphenylpropyl)-4,5-dihydro-1H-imidazol-2-amine

C18H21N3 — CID 19820446

IUPACN-(3,3-diphenylpropyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc(C(CCNC2=NCCN2)c2ccccc2)cc1
InChIInChI=1S/C18H21N3/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)11-12-19-18-20-13-14-21-18/h1-10,17H,11-14H2,(H2,19,20,21)
InChIKeyXTUWGWFFVIACKD-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.76
Rot. Bonds5

About N-(3,3-diphenylpropyl)-4,5-dihydro-1H-imidazol-2-amine

N-(3,3-diphenylpropyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 19820446) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID19820446
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-(3,3-diphenylpropyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc(C(CCNC2=NCCN2)c2ccccc2)cc1
InChIInChI=1S/C18H21N3/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)11-12-19-18-20-13-14-21-18/h1-10,17H,11-14H2,(H2,19,20,21)
InChIKeyXTUWGWFFVIACKD-UHFFFAOYSA-N
XLogP2.76
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(3,3-diphenylpropyl)-4,5-dihydro-1H-imidazol-2-amine (CID 19820446) is N-(3,3-diphenylpropyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(3,3-diphenylpropyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(3,3-diphenylpropyl)-4,5-dihydro-1H-imidazol-2-amine is c1ccc(C(CCNC2=NCCN2)c2ccccc2)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is XTUWGWFFVIACKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)11-12-19-18-20-13-14-21-18/h1-10,17H,11-14H2,(H2,19,20,21).
What are the key properties of N-(3,3-diphenylpropyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(3,3-diphenylpropyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 279.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 19820446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).