N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine

C16H24N4 — CID 114705602

IUPACN-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCn1cncc1C(N)c1ccccc1
InChIInChI=1S/C16H24N4/c1-13(2)19(3)9-10-20-12-18-11-15(20)16(17)14-7-5-4-6-8-14/h4-8,11-13,16H,9-10,17H2,1-3H3
InChIKeyTXWITSSWKDFNGN-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.27
Rot. Bonds6

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

N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine (PubChem CID 114705602) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine
PubChem CID114705602
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)CCn1cncc1C(N)c1ccccc1
InChIInChI=1S/C16H24N4/c1-13(2)19(3)9-10-20-12-18-11-15(20)16(17)14-7-5-4-6-8-14/h4-8,11-13,16H,9-10,17H2,1-3H3
InChIKeyTXWITSSWKDFNGN-UHFFFAOYSA-N
XLogP2.27
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 66150137
[3-(2-methylsulfinylpropyl)imidazol-4-yl]-phenylmethanamine
CID 114707566
ethyl 4-[5-[amino(phenyl)methyl]imidazol-1-yl]butanoate
CID 114706337
[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 106040980
[3-(2-cyclopentyloxyethyl)imidazol-4-yl]-phenylmethanamine
CID 114706152
phenyl-[3-(2-thiophen-3-ylethyl)imidazol-4-yl]methanamine
CID 114705145
2-[5-[amino(phenyl)methyl]imidazol-1-yl]-N,N-diethylpropan-1-amine
CID 114704930
[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 114704846
[3-[(2-methyloxolan-2-yl)methyl]imidazol-4-yl]-phenylmethanamine
CID 114706842
(1S)-1-[3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazol-4-yl]ethanamine
CID 104942948
2-[5-[amino(phenyl)methyl]imidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 114707087
(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 104941869

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine (CID 114705602) is N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine is CC(C)N(C)CCn1cncc1C(N)c1ccccc1.
What is the InChIKey of N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine?
The InChIKey is TXWITSSWKDFNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-13(2)19(3)9-10-20-12-18-11-15(20)16(17)14-7-5-4-6-8-14/h4-8,11-13,16H,9-10,17H2,1-3H3.
What are the key properties of N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine?
N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine has a molecular weight of 272.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[amino(phenyl)methyl]imidazol-1-yl]ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 114705602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).