5-benzyl-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine

C17H25N3 — CID 62220900

IUPAC5-benzyl-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine
SMILESCC(C)Cn1c(C(C)C)nc(Cc2ccccc2)c1N
InChIInChI=1S/C17H25N3/c1-12(2)11-20-16(18)15(19-17(20)13(3)4)10-14-8-6-5-7-9-14/h5-9,12-13H,10-11,18H2,1-4H3
InChIKeyXCDQNKVTJCTVGV-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.84
Rot. Bonds5

About 5-benzyl-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine

5-benzyl-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine (PubChem CID 62220900) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 5-benzyl-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-benzyl-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine
PubChem CID62220900
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name5-benzyl-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine
SMILESCC(C)Cn1c(C(C)C)nc(Cc2ccccc2)c1N
InChIInChI=1S/C17H25N3/c1-12(2)11-20-16(18)15(19-17(20)13(3)4)10-14-8-6-5-7-9-14/h5-9,12-13H,10-11,18H2,1-4H3
InChIKeyXCDQNKVTJCTVGV-UHFFFAOYSA-N
XLogP3.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Lepidiline B
CID 9862174
Lepidiline A
CID 404702
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CID 10400183
Paenidigyamycin A
CID 146682879
1-pentyl-5-phenyl-1H-imidazol-2-amine
CID 6917245
5,6-Dihydro-3-methyl-8-phenylimidazo[1,5-a]pyridine
CID 13764013
4-Benzyl-1-methylimidazol-2-amine
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1,4-Dibenzylimidazol-2-amine
CID 10777967
1-Methyl-3-(2-methylprop-2-enyl)-4,5-diphenylimidazol-1-ium
CID 2345786
8-benzyl-1H-imidazo[1,5-a][1,3,5]triazine-4-thione
CID 10243449
3-Benzyl-6-decyliminoimidazo[4,5-e][1,3]diazepine-4,8-diamine
CID 46871968
1-Heptyl-5-phenylimidazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-benzyl-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine (CID 62220900) is 5-benzyl-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-benzyl-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-benzyl-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine is CC(C)Cn1c(C(C)C)nc(Cc2ccccc2)c1N.
What is the InChIKey of 5-benzyl-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine?
The InChIKey is XCDQNKVTJCTVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(2)11-20-16(18)15(19-17(20)13(3)4)10-14-8-6-5-7-9-14/h5-9,12-13H,10-11,18H2,1-4H3.
What are the key properties of 5-benzyl-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine?
5-benzyl-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine has a molecular weight of 271.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62220900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).