1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine

C17H23N3 — CID 82305684

IUPAC1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2ccc(C3CCCCC3)cc2)[nH]1
InChIInChI=1S/C17H23N3/c1-18-12-17-19-11-16(20-17)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-11,13,18H,2-6,12H2,1H3,(H,19,20)
InChIKeyAQYROENYXZGCCN-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.84
Rot. Bonds4

About 1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine

1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine (PubChem CID 82305684) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
PubChem CID82305684
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
SMILESCNCc1ncc(-c2ccc(C3CCCCC3)cc2)[nH]1
InChIInChI=1S/C17H23N3/c1-18-12-17-19-11-16(20-17)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-11,13,18H,2-6,12H2,1H3,(H,19,20)
InChIKeyAQYROENYXZGCCN-UHFFFAOYSA-N
XLogP3.84
TPSA40.71 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 ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine (CID 82305684) is 1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine is CNCc1ncc(-c2ccc(C3CCCCC3)cc2)[nH]1.
What is the InChIKey of 1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine?
The InChIKey is AQYROENYXZGCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-18-12-17-19-11-16(20-17)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-11,13,18H,2-6,12H2,1H3,(H,19,20).
What are the key properties of 1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine?
1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 82305684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).