[4-(5-propan-2-yl-1H-imidazol-2-yl)phenyl]methanamine

C13H17N3 — CID 116877861

IUPAC[4-(5-propan-2-yl-1H-imidazol-2-yl)phenyl]methanamine
SMILESCC(C)c1cnc(-c2ccc(CN)cc2)[nH]1
InChIInChI=1S/C13H17N3/c1-9(2)12-8-15-13(16-12)11-5-3-10(7-14)4-6-11/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)
InChIKeyKWGDESFFRWMNOS-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.66
Rot. Bonds3

About [4-(5-propan-2-yl-1H-imidazol-2-yl)phenyl]methanamine

[4-(5-propan-2-yl-1H-imidazol-2-yl)phenyl]methanamine (PubChem CID 116877861) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is [4-(5-propan-2-yl-1H-imidazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-propan-2-yl-1H-imidazol-2-yl)phenyl]methanamine
PubChem CID116877861
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name[4-(5-propan-2-yl-1H-imidazol-2-yl)phenyl]methanamine
SMILESCC(C)c1cnc(-c2ccc(CN)cc2)[nH]1
InChIInChI=1S/C13H17N3/c1-9(2)12-8-15-13(16-12)11-5-3-10(7-14)4-6-11/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)
InChIKeyKWGDESFFRWMNOS-UHFFFAOYSA-N
XLogP2.66
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(5-propan-2-yl-1H-imidazol-2-yl)phenyl]methanamine?
The IUPAC name of [4-(5-propan-2-yl-1H-imidazol-2-yl)phenyl]methanamine (CID 116877861) is [4-(5-propan-2-yl-1H-imidazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-propan-2-yl-1H-imidazol-2-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-propan-2-yl-1H-imidazol-2-yl)phenyl]methanamine is CC(C)c1cnc(-c2ccc(CN)cc2)[nH]1.
What is the InChIKey of [4-(5-propan-2-yl-1H-imidazol-2-yl)phenyl]methanamine?
The InChIKey is KWGDESFFRWMNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9(2)12-8-15-13(16-12)11-5-3-10(7-14)4-6-11/h3-6,8-9H,7,14H2,1-2H3,(H,15,16).
What are the key properties of [4-(5-propan-2-yl-1H-imidazol-2-yl)phenyl]methanamine?
[4-(5-propan-2-yl-1H-imidazol-2-yl)phenyl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-propan-2-yl-1H-imidazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 116877861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).