4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine

C16H23N3 — CID 106571858

IUPAC4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine
SMILESCc1cn(C(C)Cc2ccccc2)c(NC(C)C)n1
InChIInChI=1S/C16H23N3/c1-12(2)17-16-18-13(3)11-19(16)14(4)10-15-8-6-5-7-9-15/h5-9,11-12,14H,10H2,1-4H3,(H,17,18)
InChIKeyNBFSPQRKVPMQKE-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.82
Rot. Bonds5

About 4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine

4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine (PubChem CID 106571858) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine
PubChem CID106571858
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine
SMILESCc1cn(C(C)Cc2ccccc2)c(NC(C)C)n1
InChIInChI=1S/C16H23N3/c1-12(2)17-16-18-13(3)11-19(16)14(4)10-15-8-6-5-7-9-15/h5-9,11-12,14H,10H2,1-4H3,(H,17,18)
InChIKeyNBFSPQRKVPMQKE-UHFFFAOYSA-N
XLogP3.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine (CID 106571858) is 4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine is Cc1cn(C(C)Cc2ccccc2)c(NC(C)C)n1.
What is the InChIKey of 4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine?
The InChIKey is NBFSPQRKVPMQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)17-16-18-13(3)11-19(16)14(4)10-15-8-6-5-7-9-15/h5-9,11-12,14H,10H2,1-4H3,(H,17,18).
What are the key properties of 4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine?
4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106571858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).