2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine

C16H23N3 — CID 82483196

IUPAC2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine
SMILESCc1ccc(C(C)C)cc1-c1nc(CCN)[nH]c1C
InChIInChI=1S/C16H23N3/c1-10(2)13-6-5-11(3)14(9-13)16-12(4)18-15(19-16)7-8-17/h5-6,9-10H,7-8,17H2,1-4H3,(H,18,19)
InChIKeyDODGCFKLXWDLJI-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.32
Rot. Bonds4

About 2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine

2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine (PubChem CID 82483196) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine
PubChem CID82483196
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine
SMILESCc1ccc(C(C)C)cc1-c1nc(CCN)[nH]c1C
InChIInChI=1S/C16H23N3/c1-10(2)13-6-5-11(3)14(9-13)16-12(4)18-15(19-16)7-8-17/h5-6,9-10H,7-8,17H2,1-4H3,(H,18,19)
InChIKeyDODGCFKLXWDLJI-UHFFFAOYSA-N
XLogP3.32
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-methoxy-2,3,5-trimethylphenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 96669273
3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876927
2-[2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82484829
2-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)ethanamine
CID 82236116
4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105471255
2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475742
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 112585736
2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 82489288
2-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879331
5-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 112679311
[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
CID 82482338
2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine
CID 82293864

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine (CID 82483196) is 2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine is Cc1ccc(C(C)C)cc1-c1nc(CCN)[nH]c1C.
What is the InChIKey of 2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine?
The InChIKey is DODGCFKLXWDLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-10(2)13-6-5-11(3)14(9-13)16-12(4)18-15(19-16)7-8-17/h5-6,9-10H,7-8,17H2,1-4H3,(H,18,19).
What are the key properties of 2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine?
2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 82483196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).