[1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine

C17H23N3 — CID 116882117

IUPAC[1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine
SMILESCc1ccc(C(C)C)cc1-c1cnc(C2(CN)CC2)[nH]1
InChIInChI=1S/C17H23N3/c1-11(2)13-5-4-12(3)14(8-13)15-9-19-16(20-15)17(10-18)6-7-17/h4-5,8-9,11H,6-7,10,18H2,1-3H3,(H,19,20)
InChIKeyGOWXCPYSBPYIMO-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.50
Rot. Bonds4

About [1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine

[1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine (PubChem CID 116882117) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is [1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine
PubChem CID116882117
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name[1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine
SMILESCc1ccc(C(C)C)cc1-c1cnc(C2(CN)CC2)[nH]1
InChIInChI=1S/C17H23N3/c1-11(2)13-5-4-12(3)14(8-13)15-9-19-16(20-15)17(10-18)6-7-17/h4-5,8-9,11H,6-7,10,18H2,1-3H3,(H,19,20)
InChIKeyGOWXCPYSBPYIMO-UHFFFAOYSA-N
XLogP3.50
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882103
3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876927
2-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanethiol
CID 116879331
1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880813
[3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882710
3-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]propanenitrile
CID 116880178
[1-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882113
[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine
CID 116882338
[1-[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882144
[1-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]cyclopropyl]methanamine
CID 116882112
5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 82471385
[1-(5-propyl-1H-imidazol-2-yl)cyclopropyl]methanamine
CID 116882071

Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine (CID 116882117) is [1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine is Cc1ccc(C(C)C)cc1-c1cnc(C2(CN)CC2)[nH]1.
What is the InChIKey of [1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
The InChIKey is GOWXCPYSBPYIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-11(2)13-5-4-12(3)14(8-13)15-9-19-16(20-15)17(10-18)6-7-17/h4-5,8-9,11H,6-7,10,18H2,1-3H3,(H,19,20).
What are the key properties of [1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine?
[1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116882117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).