2-[5-[amino(phenyl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine

C17H26N4 — CID 114704930

IUPAC2-[5-[amino(phenyl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CC(C)n1cncc1C(N)c1ccccc1
InChIInChI=1S/C17H26N4/c1-4-20(5-2)12-14(3)21-13-19-11-16(21)17(18)15-9-7-6-8-10-15/h6-11,13-14,17H,4-5,12,18H2,1-3H3
InChIKeyPAZHIEKWLSOTTA-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.83
Rot. Bonds7

About 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine

2-[5-[amino(phenyl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine (PubChem CID 114704930) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name2-[5-[amino(phenyl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine
PubChem CID114704930
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-[5-[amino(phenyl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CC(C)n1cncc1C(N)c1ccccc1
InChIInChI=1S/C17H26N4/c1-4-20(5-2)12-14(3)21-13-19-11-16(21)17(18)15-9-7-6-8-10-15/h6-11,13-14,17H,4-5,12,18H2,1-3H3
InChIKeyPAZHIEKWLSOTTA-UHFFFAOYSA-N
XLogP2.83
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine?
The IUPAC name of 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine (CID 114704930) is 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine.
What is the SMILES notation for 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine?
The canonical SMILES for 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine is CCN(CC)CC(C)n1cncc1C(N)c1ccccc1.
What is the InChIKey of 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine?
The InChIKey is PAZHIEKWLSOTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-4-20(5-2)12-14(3)21-13-19-11-16(21)17(18)15-9-7-6-8-10-15/h6-11,13-14,17H,4-5,12,18H2,1-3H3.
What are the key properties of 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine?
2-[5-[amino(phenyl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino(phenyl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 114704930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).