N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]formamide

C7H11N3O — CID 59286194

IUPACN-[2-(5-methyl-1H-imidazol-2-yl)ethyl]formamide
SMILESCc1cnc(CCNC=O)[nH]1
InChIInChI=1S/C7H11N3O/c1-6-4-9-7(10-6)2-3-8-5-11/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)
InChIKeySWNIUGLTYWRKMD-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.01
Rot. Bonds4

About N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]formamide

N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]formamide (PubChem CID 59286194) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1H-imidazol-2-yl)ethyl]formamide
PubChem CID59286194
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC NameN-[2-(5-methyl-1H-imidazol-2-yl)ethyl]formamide
SMILESCc1cnc(CCNC=O)[nH]1
InChIInChI=1S/C7H11N3O/c1-6-4-9-7(10-6)2-3-8-5-11/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)
InChIKeySWNIUGLTYWRKMD-UHFFFAOYSA-N
XLogP0.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(5-methyl-1H-imidazol-2-yl)ethyl]formamide?
The IUPAC name of N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]formamide (CID 59286194) is N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]formamide?
The canonical SMILES for N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]formamide is Cc1cnc(CCNC=O)[nH]1.
What is the InChIKey of N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]formamide?
The InChIKey is SWNIUGLTYWRKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-6-4-9-7(10-6)2-3-8-5-11/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10).
What are the key properties of N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]formamide?
N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]formamide has a molecular weight of 153.19 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]formamide is sourced from PubChem (CID 59286194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).