N-(1H-imidazol-5-ylmethyl)-N-[(2-methylpropan-2-yl)oxy]formamide

C9H15N3O2 — CID 57292763

IUPACN-(1H-imidazol-5-ylmethyl)-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)Cc1cnc[nH]1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)14-12(7-13)5-8-4-10-6-11-8/h4,6-7H,5H2,1-3H3,(H,10,11)
InChIKeyHRLVESNZJMMBJI-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.10
Rot. Bonds4

About N-(1H-imidazol-5-ylmethyl)-N-[(2-methylpropan-2-yl)oxy]formamide

N-(1H-imidazol-5-ylmethyl)-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 57292763) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID57292763
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)Cc1cnc[nH]1
InChIInChI=1S/C9H15N3O2/c1-9(2,3)14-12(7-13)5-8-4-10-6-11-8/h4,6-7H,5H2,1-3H3,(H,10,11)
InChIKeyHRLVESNZJMMBJI-UHFFFAOYSA-N
XLogP1.10
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1H-imidazol-5-ylmethyl(methyl)amino]propan-2-one
CID 167242338
2-(1H-imidazol-5-yl)acetaldehyde;hydrochloride
CID 86735846
5-(2,2-dimethylbut-3-enyl)-1H-imidazole
CID 66705656
ethyl formate;5-ethyl-1H-imidazole
CID 175286438
3-(1H-imidazol-5-yl)-N-(2-methyl-1-oxopropan-2-yl)propanamide
CID 118336768
2-amino-2-(1H-imidazol-5-ylmethyl)-3-methoxypropanal
CID 163822247
N-[1H-imidazol-5-ylmethyl(methylaminocarbamoyl)amino]formamide
CID 155720590
5-hexyl-1H-imidazole
CID 14225142
octyl 2-(1H-imidazol-5-yl)acetate
CID 25133039
methyl (2S)-2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoate
CID 22855169
2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
CID 19918803
4-(1H-imidazol-5-yl)-3-methyl-3-(methylamino)butan-2-one
CID 59703175

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-[(2-methylpropan-2-yl)oxy]formamide (CID 57292763) is N-(1H-imidazol-5-ylmethyl)-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)Cc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is HRLVESNZJMMBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(2,3)14-12(7-13)5-8-4-10-6-11-8/h4,6-7H,5H2,1-3H3,(H,10,11).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N-[(2-methylpropan-2-yl)oxy]formamide?
N-(1H-imidazol-5-ylmethyl)-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 197.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 57292763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).