[1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine

C16H21N3 — CID 116882103

IUPAC[1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine
SMILESCc1cc(C)c(-c2cnc(C3(CN)CC3)[nH]2)c(C)c1
InChIInChI=1S/C16H21N3/c1-10-6-11(2)14(12(3)7-10)13-8-18-15(19-13)16(9-17)4-5-16/h6-8H,4-5,9,17H2,1-3H3,(H,18,19)
InChIKeyXNZIMRDCWAAUBM-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.99
Rot. Bonds3

About [1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine

[1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine (PubChem CID 116882103) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine
PubChem CID116882103
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name[1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine
SMILESCc1cc(C)c(-c2cnc(C3(CN)CC3)[nH]2)c(C)c1
InChIInChI=1S/C16H21N3/c1-10-6-11(2)14(12(3)7-10)13-8-18-15(19-13)16(9-17)4-5-16/h6-8H,4-5,9,17H2,1-3H3,(H,18,19)
InChIKeyXNZIMRDCWAAUBM-UHFFFAOYSA-N
XLogP2.99
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882112
[1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882117
[1-(5-propyl-1H-imidazol-2-yl)cyclopropyl]methanamine
CID 116882071
[1-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882113
3-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]oxetane-3-carbonitrile
CID 116882557
[3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882710
[1-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882099
[3-[5-(3-methylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882734
[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine
CID 82946428
[1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882144
[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine
CID 116882338
[1-[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882118

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine (CID 116882103) is [1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine is Cc1cc(C)c(-c2cnc(C3(CN)CC3)[nH]2)c(C)c1.
What is the InChIKey of [1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The InChIKey is XNZIMRDCWAAUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-10-6-11(2)14(12(3)7-10)13-8-18-15(19-13)16(9-17)4-5-16/h6-8H,4-5,9,17H2,1-3H3,(H,18,19).
What are the key properties of [1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
[1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116882103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).