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

C16H21N3 — CID 116882166

IUPAC1-[1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine
SMILESCCc1ccc(-c2cnc(C3(CNC)CC3)[nH]2)cc1
InChIInChI=1S/C16H21N3/c1-3-12-4-6-13(7-5-12)14-10-18-15(19-14)16(8-9-16)11-17-2/h4-7,10,17H,3,8-9,11H2,1-2H3,(H,18,19)
InChIKeyZHDQESMXKFFKMR-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.89
Rot. Bonds5

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

1-[1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine (PubChem CID 116882166) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-[1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine
PubChem CID116882166
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-[1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine
SMILESCCc1ccc(-c2cnc(C3(CNC)CC3)[nH]2)cc1
InChIInChI=1S/C16H21N3/c1-3-12-4-6-13(7-5-12)14-10-18-15(19-14)16(8-9-16)11-17-2/h4-7,10,17H,3,8-9,11H2,1-2H3,(H,18,19)
InChIKeyZHDQESMXKFFKMR-UHFFFAOYSA-N
XLogP2.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine (CID 116882166) is 1-[1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine is CCc1ccc(-c2cnc(C3(CNC)CC3)[nH]2)cc1.
What is the InChIKey of 1-[1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine?
The InChIKey is ZHDQESMXKFFKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-12-4-6-13(7-5-12)14-10-18-15(19-14)16(8-9-16)11-17-2/h4-7,10,17H,3,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine?
1-[1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine has a molecular weight of 255.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(4-ethylphenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 116882166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).