4-naphthalen-1-yl-5-propan-2-yl-1H-imidazol-2-amine

C16H17N3 — CID 11311287

IUPAC4-naphthalen-1-yl-5-propan-2-yl-1H-imidazol-2-amine
SMILESCC(C)c1[nH]c(N)nc1-c1cccc2ccccc12
InChIInChI=1S/C16H17N3/c1-10(2)14-15(19-16(17)18-14)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3,(H3,17,18,19)
InChIKeyLTLKPWAVGSVFNX-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.94
Rot. Bonds2

About 4-naphthalen-1-yl-5-propan-2-yl-1H-imidazol-2-amine

4-naphthalen-1-yl-5-propan-2-yl-1H-imidazol-2-amine (PubChem CID 11311287) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-naphthalen-1-yl-5-propan-2-yl-1H-imidazol-2-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-5-propan-2-yl-1H-imidazol-2-amine
PubChem CID11311287
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name4-naphthalen-1-yl-5-propan-2-yl-1H-imidazol-2-amine
SMILESCC(C)c1[nH]c(N)nc1-c1cccc2ccccc12
InChIInChI=1S/C16H17N3/c1-10(2)14-15(19-16(17)18-14)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3,(H3,17,18,19)
InChIKeyLTLKPWAVGSVFNX-UHFFFAOYSA-N
XLogP3.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-5-propan-2-yl-1H-imidazol-2-amine?
The IUPAC name of 4-naphthalen-1-yl-5-propan-2-yl-1H-imidazol-2-amine (CID 11311287) is 4-naphthalen-1-yl-5-propan-2-yl-1H-imidazol-2-amine.
What is the SMILES notation for 4-naphthalen-1-yl-5-propan-2-yl-1H-imidazol-2-amine?
The canonical SMILES for 4-naphthalen-1-yl-5-propan-2-yl-1H-imidazol-2-amine is CC(C)c1[nH]c(N)nc1-c1cccc2ccccc12.
What is the InChIKey of 4-naphthalen-1-yl-5-propan-2-yl-1H-imidazol-2-amine?
The InChIKey is LTLKPWAVGSVFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-10(2)14-15(19-16(17)18-14)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3,(H3,17,18,19).
What are the key properties of 4-naphthalen-1-yl-5-propan-2-yl-1H-imidazol-2-amine?
4-naphthalen-1-yl-5-propan-2-yl-1H-imidazol-2-amine has a molecular weight of 251.33 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-5-propan-2-yl-1H-imidazol-2-amine is sourced from PubChem (CID 11311287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).