formamide;2-methyl-1H-imidazole

C5H9N3O — CID 172691606

IUPACformamide;2-methyl-1H-imidazole
SMILESCc1ncc[nH]1.NC=O
InChIInChI=1S/C4H6N2.CH3NO/c1-4-5-2-3-6-4;2-1-3/h2-3H,1H3,(H,5,6);1H,(H2,2,3)
InChIKeyBTFYPNCJWAMGQK-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.18
Rot. Bonds

About formamide;2-methyl-1H-imidazole

formamide;2-methyl-1H-imidazole (PubChem CID 172691606) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is formamide;2-methyl-1H-imidazole.

Molecular Properties

Compound Nameformamide;2-methyl-1H-imidazole
PubChem CID172691606
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Nameformamide;2-methyl-1H-imidazole
SMILESCc1ncc[nH]1.NC=O
InChIInChI=1S/C4H6N2.CH3NO/c1-4-5-2-3-6-4;2-1-3/h2-3H,1H3,(H,5,6);1H,(H2,2,3)
InChIKeyBTFYPNCJWAMGQK-UHFFFAOYSA-N
XLogP-0.18
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;2-methyl-1H-imidazole;chloride
CID 174938695
methanol;2-methyl-1H-imidazole
CID 174899485
2-methyl-1H-imidazole;oxalic acid
CID 71442090
2-aminoacetic acid;2-methyl-1H-imidazole
CID 126510094
azonous acid;tetrakis(2-methyl-1H-imidazole);nickel
CID 5255487
acetyl acetate;2-methyl-1H-imidazole
CID 174834848
2-methyl-1H-imidazole;naphthalene-2,6-diamine
CID 174950702
2-(trideuteriomethyl)-1H-imidazole
CID 13001457
2-(deuteriomethyl)-1H-imidazole
CID 164899260
CID 172694720
CID 172694720
2-methyl-1H-imidazole;propane-1-sulfonic acid
CID 174610339
N,N-dimethyl-1-phenylmethanamine;2-methyl-1H-imidazole
CID 19938699

Frequently Asked Questions

What is the IUPAC name of formamide;2-methyl-1H-imidazole?
The IUPAC name of formamide;2-methyl-1H-imidazole (CID 172691606) is formamide;2-methyl-1H-imidazole.
What is the SMILES notation for formamide;2-methyl-1H-imidazole?
The canonical SMILES for formamide;2-methyl-1H-imidazole is Cc1ncc[nH]1.NC=O.
What is the InChIKey of formamide;2-methyl-1H-imidazole?
The InChIKey is BTFYPNCJWAMGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.CH3NO/c1-4-5-2-3-6-4;2-1-3/h2-3H,1H3,(H,5,6);1H,(H2,2,3).
What are the key properties of formamide;2-methyl-1H-imidazole?
formamide;2-methyl-1H-imidazole has a molecular weight of 127.15 g/mol, XLogP of -0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;2-methyl-1H-imidazole is sourced from PubChem (CID 172691606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).