1-[1-(4-ethylphenyl)imidazol-4-yl]cyclopropan-1-amine

C14H17N3 — CID 130469809

IUPAC1-[1-(4-ethylphenyl)imidazol-4-yl]cyclopropan-1-amine
SMILESCCc1ccc(-n2cnc(C3(N)CC3)c2)cc1
InChIInChI=1S/C14H17N3/c1-2-11-3-5-12(6-4-11)17-9-13(16-10-17)14(15)7-8-14/h3-6,9-10H,2,7-8,15H2,1H3
InChIKeyAGCASGRYXTYBSM-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.38
Rot. Bonds3

About 1-[1-(4-ethylphenyl)imidazol-4-yl]cyclopropan-1-amine

1-[1-(4-ethylphenyl)imidazol-4-yl]cyclopropan-1-amine (PubChem CID 130469809) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)imidazol-4-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)imidazol-4-yl]cyclopropan-1-amine
PubChem CID130469809
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-[1-(4-ethylphenyl)imidazol-4-yl]cyclopropan-1-amine
SMILESCCc1ccc(-n2cnc(C3(N)CC3)c2)cc1
InChIInChI=1S/C14H17N3/c1-2-11-3-5-12(6-4-11)17-9-13(16-10-17)14(15)7-8-14/h3-6,9-10H,2,7-8,15H2,1H3
InChIKeyAGCASGRYXTYBSM-UHFFFAOYSA-N
XLogP2.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)imidazol-4-yl]cyclopropan-1-amine?
The IUPAC name of 1-[1-(4-ethylphenyl)imidazol-4-yl]cyclopropan-1-amine (CID 130469809) is 1-[1-(4-ethylphenyl)imidazol-4-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[1-(4-ethylphenyl)imidazol-4-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[1-(4-ethylphenyl)imidazol-4-yl]cyclopropan-1-amine is CCc1ccc(-n2cnc(C3(N)CC3)c2)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)imidazol-4-yl]cyclopropan-1-amine?
The InChIKey is AGCASGRYXTYBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-11-3-5-12(6-4-11)17-9-13(16-10-17)14(15)7-8-14/h3-6,9-10H,2,7-8,15H2,1H3.
What are the key properties of 1-[1-(4-ethylphenyl)imidazol-4-yl]cyclopropan-1-amine?
1-[1-(4-ethylphenyl)imidazol-4-yl]cyclopropan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)imidazol-4-yl]cyclopropan-1-amine is sourced from PubChem (CID 130469809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).