N-[2-(3-ethylimidazol-4-yl)ethyl]formamide

C8H13N3O — CID 142002856

IUPACN-[2-(3-ethylimidazol-4-yl)ethyl]formamide
SMILESCCn1cncc1CCNC=O
InChIInChI=1S/C8H13N3O/c1-2-11-6-10-5-8(11)3-4-9-7-12/h5-7H,2-4H2,1H3,(H,9,12)
InChIKeyVFOMXVDUSYJLCH-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.19
Rot. Bonds5

About N-[2-(3-ethylimidazol-4-yl)ethyl]formamide

N-[2-(3-ethylimidazol-4-yl)ethyl]formamide (PubChem CID 142002856) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[2-(3-ethylimidazol-4-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(3-ethylimidazol-4-yl)ethyl]formamide
PubChem CID142002856
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[2-(3-ethylimidazol-4-yl)ethyl]formamide
SMILESCCn1cncc1CCNC=O
InChIInChI=1S/C8H13N3O/c1-2-11-6-10-5-8(11)3-4-9-7-12/h5-7H,2-4H2,1H3,(H,9,12)
InChIKeyVFOMXVDUSYJLCH-UHFFFAOYSA-N
XLogP0.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine
CID 66118440
5-[(3-ethylimidazol-4-yl)methylamino]pentanamide
CID 106233413
N-ethyl-2-[(3-ethylimidazol-4-yl)methoxy]ethanamine
CID 106937890
N-[(3-ethylimidazol-4-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115516463
1-(3-ethylimidazol-4-yl)-N,N-dimethylmethanamine
CID 117192905
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide
CID 66135289
2-(3-ethylimidazol-4-yl)acetonitrile
CID 84648252
N-[(3-ethylimidazol-4-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106395446
4-[(3-ethylimidazol-4-yl)methylsulfanyl]-2-formamidobutanoic acid
CID 66154144
1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]methanamine
CID 66118854
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methylphenyl)methanamine
CID 66116948

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylimidazol-4-yl)ethyl]formamide?
The IUPAC name of N-[2-(3-ethylimidazol-4-yl)ethyl]formamide (CID 142002856) is N-[2-(3-ethylimidazol-4-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(3-ethylimidazol-4-yl)ethyl]formamide?
The canonical SMILES for N-[2-(3-ethylimidazol-4-yl)ethyl]formamide is CCn1cncc1CCNC=O.
What is the InChIKey of N-[2-(3-ethylimidazol-4-yl)ethyl]formamide?
The InChIKey is VFOMXVDUSYJLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-11-6-10-5-8(11)3-4-9-7-12/h5-7H,2-4H2,1H3,(H,9,12).
What are the key properties of N-[2-(3-ethylimidazol-4-yl)ethyl]formamide?
N-[2-(3-ethylimidazol-4-yl)ethyl]formamide has a molecular weight of 167.21 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylimidazol-4-yl)ethyl]formamide is sourced from PubChem (CID 142002856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).