3,5-bis(2-methylpropyl)-2-phenylimidazol-4-amine

C17H25N3 — CID 62221198

IUPAC3,5-bis(2-methylpropyl)-2-phenylimidazol-4-amine
SMILESCC(C)Cc1nc(-c2ccccc2)n(CC(C)C)c1N
InChIInChI=1S/C17H25N3/c1-12(2)10-15-16(18)20(11-13(3)4)17(19-15)14-8-6-5-7-9-14/h5-9,12-13H,10-11,18H2,1-4H3
InChIKeyAUSANHRQNRLZEV-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.99
Rot. Bonds5

About 3,5-bis(2-methylpropyl)-2-phenylimidazol-4-amine

3,5-bis(2-methylpropyl)-2-phenylimidazol-4-amine (PubChem CID 62221198) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3,5-bis(2-methylpropyl)-2-phenylimidazol-4-amine.

Molecular Properties

Compound Name3,5-bis(2-methylpropyl)-2-phenylimidazol-4-amine
PubChem CID62221198
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3,5-bis(2-methylpropyl)-2-phenylimidazol-4-amine
SMILESCC(C)Cc1nc(-c2ccccc2)n(CC(C)C)c1N
InChIInChI=1S/C17H25N3/c1-12(2)10-15-16(18)20(11-13(3)4)17(19-15)14-8-6-5-7-9-14/h5-9,12-13H,10-11,18H2,1-4H3
InChIKeyAUSANHRQNRLZEV-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Diphenyl-2-methylimidazole
CID 236696
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
1-Benzyl-2-phenylbenzimidazole
CID 1221687
1-Benzyl-2-methylbenzimidazole
CID 759305
2-Cyclohexyl-1-methylbenzimidazole
CID 2991075
1-methyl-2-(2-phenylvinyl)-1H-benzimidazole
CID 5708370
4-Methyl-2-phenyl-1H-imidazole
CID 70012
1-Methyl-5-phenyl-imidazol-2-amine
CID 1132927
1-Methyl-5-phenyl-1H-imidazole
CID 3746343
2-Hexyl-5-[4-(2-methylpropyl)phenyl]-1H-imidazole
CID 9795821
5-phenyl-2-undecan-6-yl-1H-imidazole
CID 9944114
1-methyl-4-phenyl-1H-imidazole
CID 2748782

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-methylpropyl)-2-phenylimidazol-4-amine?
The IUPAC name of 3,5-bis(2-methylpropyl)-2-phenylimidazol-4-amine (CID 62221198) is 3,5-bis(2-methylpropyl)-2-phenylimidazol-4-amine.
What is the SMILES notation for 3,5-bis(2-methylpropyl)-2-phenylimidazol-4-amine?
The canonical SMILES for 3,5-bis(2-methylpropyl)-2-phenylimidazol-4-amine is CC(C)Cc1nc(-c2ccccc2)n(CC(C)C)c1N.
What is the InChIKey of 3,5-bis(2-methylpropyl)-2-phenylimidazol-4-amine?
The InChIKey is AUSANHRQNRLZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(2)10-15-16(18)20(11-13(3)4)17(19-15)14-8-6-5-7-9-14/h5-9,12-13H,10-11,18H2,1-4H3.
What are the key properties of 3,5-bis(2-methylpropyl)-2-phenylimidazol-4-amine?
3,5-bis(2-methylpropyl)-2-phenylimidazol-4-amine has a molecular weight of 271.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-methylpropyl)-2-phenylimidazol-4-amine is sourced from PubChem (CID 62221198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).