2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine

C11H16N4O — CID 82237135

IUPAC2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine
SMILESCc1nc(NC(C)c2ccc(C)o2)c(N)[nH]1
InChIInChI=1S/C11H16N4O/c1-6-4-5-9(16-6)7(2)13-11-10(12)14-8(3)15-11/h4-5,7,13H,12H2,1-3H3,(H,14,15)
InChIKeySQBOARMISRSOBK-UHFFFAOYSA-N
MW220.28 g/mol
LogP2.37
Rot. Bonds3

About 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine

2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine (PubChem CID 82237135) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine
PubChem CID82237135
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine
SMILESCc1nc(NC(C)c2ccc(C)o2)c(N)[nH]1
InChIInChI=1S/C11H16N4O/c1-6-4-5-9(16-6)7(2)13-11-10(12)14-8(3)15-11/h4-5,7,13H,12H2,1-3H3,(H,14,15)
InChIKeySQBOARMISRSOBK-UHFFFAOYSA-N
XLogP2.37
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine
CID 115000740
3-N-[1-(5-methylfuran-2-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 66275154
6-methoxy-2-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3-diamine
CID 113286476
5-amino-4-[1-(5-methylfuran-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 137016213
6-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,3,6-triamine
CID 79828244
2-chloro-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
CID 79076194
6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 112724390
3,5,6-trichloro-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-2-amine
CID 102750656
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 99809761
6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80800277
N-[1-(5-methylfuran-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 61038634
2-hydrazinyl-6-methyl-N-[1-(5-methylfuran-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103332775

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine?
The IUPAC name of 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine (CID 82237135) is 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine.
What is the SMILES notation for 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine?
The canonical SMILES for 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine is Cc1nc(NC(C)c2ccc(C)o2)c(N)[nH]1.
What is the InChIKey of 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine?
The InChIKey is SQBOARMISRSOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-6-4-5-9(16-6)7(2)13-11-10(12)14-8(3)15-11/h4-5,7,13H,12H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine?
2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine has a molecular weight of 220.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-1H-imidazole-4,5-diamine is sourced from PubChem (CID 82237135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).