N-[2-[2-[2-(4,5-dihydroimidazol-1-yl)ethylamino]ethyl-formylamino]ethyl]formamide

C11H21N5O2 — CID 155115202

IUPACN-[2-[2-[2-(4,5-dihydroimidazol-1-yl)ethylamino]ethyl-formylamino]ethyl]formamide
SMILESO=CNCCN(C=O)CCNCCN1C=NCC1
InChIInChI=1S/C11H21N5O2/c17-10-14-4-8-16(11-18)7-2-12-1-5-15-6-3-13-9-15/h9-12H,1-8H2,(H,14,17)
InChIKeyCQYJNLQBJCVQCC-UHFFFAOYSA-N
MW255.32 g/mol
LogP-1.88
Rot. Bonds11

About N-[2-[2-[2-(4,5-dihydroimidazol-1-yl)ethylamino]ethyl-formylamino]ethyl]formamide

N-[2-[2-[2-(4,5-dihydroimidazol-1-yl)ethylamino]ethyl-formylamino]ethyl]formamide (PubChem CID 155115202) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[2-[2-[2-(4,5-dihydroimidazol-1-yl)ethylamino]ethyl-formylamino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4,5-dihydroimidazol-1-yl)ethylamino]ethyl-formylamino]ethyl]formamide
PubChem CID155115202
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC NameN-[2-[2-[2-(4,5-dihydroimidazol-1-yl)ethylamino]ethyl-formylamino]ethyl]formamide
SMILESO=CNCCN(C=O)CCNCCN1C=NCC1
InChIInChI=1S/C11H21N5O2/c17-10-14-4-8-16(11-18)7-2-12-1-5-15-6-3-13-9-15/h9-12H,1-8H2,(H,14,17)
InChIKeyCQYJNLQBJCVQCC-UHFFFAOYSA-N
XLogP-1.88
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4,5-dihydroimidazol-1-yl)ethylamino]ethyl-formylamino]ethyl]formamide?
The IUPAC name of N-[2-[2-[2-(4,5-dihydroimidazol-1-yl)ethylamino]ethyl-formylamino]ethyl]formamide (CID 155115202) is N-[2-[2-[2-(4,5-dihydroimidazol-1-yl)ethylamino]ethyl-formylamino]ethyl]formamide.
What is the SMILES notation for N-[2-[2-[2-(4,5-dihydroimidazol-1-yl)ethylamino]ethyl-formylamino]ethyl]formamide?
The canonical SMILES for N-[2-[2-[2-(4,5-dihydroimidazol-1-yl)ethylamino]ethyl-formylamino]ethyl]formamide is O=CNCCN(C=O)CCNCCN1C=NCC1.
What is the InChIKey of N-[2-[2-[2-(4,5-dihydroimidazol-1-yl)ethylamino]ethyl-formylamino]ethyl]formamide?
The InChIKey is CQYJNLQBJCVQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c17-10-14-4-8-16(11-18)7-2-12-1-5-15-6-3-13-9-15/h9-12H,1-8H2,(H,14,17).
What are the key properties of N-[2-[2-[2-(4,5-dihydroimidazol-1-yl)ethylamino]ethyl-formylamino]ethyl]formamide?
N-[2-[2-[2-(4,5-dihydroimidazol-1-yl)ethylamino]ethyl-formylamino]ethyl]formamide has a molecular weight of 255.32 g/mol, XLogP of -1.88, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4,5-dihydroimidazol-1-yl)ethylamino]ethyl-formylamino]ethyl]formamide is sourced from PubChem (CID 155115202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).