N-benzyl-5-propan-2-yl-4,5-dihydro-1H-imidazol-2-amine

C13H19N3 — CID 138049956

IUPACN-benzyl-5-propan-2-yl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(C)C1CN=C(NCc2ccccc2)N1
InChIInChI=1S/C13H19N3/c1-10(2)12-9-15-13(16-12)14-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,14,15,16)
InChIKeyLVQSAGHAZLJPFF-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.76
Rot. Bonds3

About N-benzyl-5-propan-2-yl-4,5-dihydro-1H-imidazol-2-amine

N-benzyl-5-propan-2-yl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 138049956) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-benzyl-5-propan-2-yl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-propan-2-yl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID138049956
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-benzyl-5-propan-2-yl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(C)C1CN=C(NCc2ccccc2)N1
InChIInChI=1S/C13H19N3/c1-10(2)12-9-15-13(16-12)14-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,14,15,16)
InChIKeyLVQSAGHAZLJPFF-UHFFFAOYSA-N
XLogP1.76
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-propan-2-yl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-benzyl-5-propan-2-yl-4,5-dihydro-1H-imidazol-2-amine (CID 138049956) is N-benzyl-5-propan-2-yl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-benzyl-5-propan-2-yl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-benzyl-5-propan-2-yl-4,5-dihydro-1H-imidazol-2-amine is CC(C)C1CN=C(NCc2ccccc2)N1.
What is the InChIKey of N-benzyl-5-propan-2-yl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is LVQSAGHAZLJPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10(2)12-9-15-13(16-12)14-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,14,15,16).
What are the key properties of N-benzyl-5-propan-2-yl-4,5-dihydro-1H-imidazol-2-amine?
N-benzyl-5-propan-2-yl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 217.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-propan-2-yl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 138049956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).