2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-1H-imidazol-5-amine

C11H21N5 — CID 82235514

IUPAC2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-1H-imidazol-5-amine
SMILESCc1nc(N2CCN(C(C)C)CC2)c(N)[nH]1
InChIInChI=1S/C11H21N5/c1-8(2)15-4-6-16(7-5-15)11-10(12)13-9(3)14-11/h8H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyWWMMNYIULSBWDN-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.83
Rot. Bonds2

About 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-1H-imidazol-5-amine

2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-1H-imidazol-5-amine (PubChem CID 82235514) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-1H-imidazol-5-amine.

Molecular Properties

Compound Name2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-1H-imidazol-5-amine
PubChem CID82235514
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-1H-imidazol-5-amine
SMILESCc1nc(N2CCN(C(C)C)CC2)c(N)[nH]1
InChIInChI=1S/C11H21N5/c1-8(2)15-4-6-16(7-5-15)11-10(12)13-9(3)14-11/h8H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyWWMMNYIULSBWDN-UHFFFAOYSA-N
XLogP0.83
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-1H-imidazol-5-amine?
The IUPAC name of 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-1H-imidazol-5-amine (CID 82235514) is 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-1H-imidazol-5-amine.
What is the SMILES notation for 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-1H-imidazol-5-amine?
The canonical SMILES for 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-1H-imidazol-5-amine is Cc1nc(N2CCN(C(C)C)CC2)c(N)[nH]1.
What is the InChIKey of 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-1H-imidazol-5-amine?
The InChIKey is WWMMNYIULSBWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-8(2)15-4-6-16(7-5-15)11-10(12)13-9(3)14-11/h8H,4-7,12H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-1H-imidazol-5-amine?
2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-1H-imidazol-5-amine has a molecular weight of 223.32 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-propan-2-ylpiperazin-1-yl)-1H-imidazol-5-amine is sourced from PubChem (CID 82235514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).