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

C16H23N3 — CID 65232619

IUPAC2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine
SMILESCC(C)Cc1ccc(-c2cnc(C(C)CN)[nH]2)cc1
InChIInChI=1S/C16H23N3/c1-11(2)8-13-4-6-14(7-5-13)15-10-18-16(19-15)12(3)9-17/h4-7,10-12H,8-9,17H2,1-3H3,(H,18,19)
InChIKeyIFSINDQVJSHHPT-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.34
Rot. Bonds5

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

2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine (PubChem CID 65232619) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine
PubChem CID65232619
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine
SMILESCC(C)Cc1ccc(-c2cnc(C(C)CN)[nH]2)cc1
InChIInChI=1S/C16H23N3/c1-11(2)8-13-4-6-14(7-5-13)15-10-18-16(19-15)12(3)9-17/h4-7,10-12H,8-9,17H2,1-3H3,(H,18,19)
InChIKeyIFSINDQVJSHHPT-UHFFFAOYSA-N
XLogP3.34
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine (CID 65232619) is 2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine is CC(C)Cc1ccc(-c2cnc(C(C)CN)[nH]2)cc1.
What is the InChIKey of 2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is IFSINDQVJSHHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11(2)8-13-4-6-14(7-5-13)15-10-18-16(19-15)12(3)9-17/h4-7,10-12H,8-9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine?
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 65232619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).