1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine

C11H17N5 — CID 62138049

IUPAC1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine
SMILESCCn1ccnc1NC(C)Cn1ccnc1
InChIInChI=1S/C11H17N5/c1-3-16-7-5-13-11(16)14-10(2)8-15-6-4-12-9-15/h4-7,9-10H,3,8H2,1-2H3,(H,13,14)
InChIKeyBJIYCWJPWOLPBL-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.60
Rot. Bonds5

About 1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine

1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine (PubChem CID 62138049) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine
PubChem CID62138049
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine
SMILESCCn1ccnc1NC(C)Cn1ccnc1
InChIInChI=1S/C11H17N5/c1-3-16-7-5-13-11(16)14-10(2)8-15-6-4-12-9-15/h4-7,9-10H,3,8H2,1-2H3,(H,13,14)
InChIKeyBJIYCWJPWOLPBL-UHFFFAOYSA-N
XLogP1.60
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine?
The IUPAC name of 1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine (CID 62138049) is 1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine?
The canonical SMILES for 1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine is CCn1ccnc1NC(C)Cn1ccnc1.
What is the InChIKey of 1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine?
The InChIKey is BJIYCWJPWOLPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-3-16-7-5-13-11(16)14-10(2)8-15-6-4-12-9-15/h4-7,9-10H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine?
1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 62138049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).