1-[1H-imidazol-5-ylmethyl(methyl)amino]propan-2-one

C8H13N3O — CID 167242338

IUPAC1-[1H-imidazol-5-ylmethyl(methyl)amino]propan-2-one
SMILESCC(=O)CN(C)Cc1cnc[nH]1
InChIInChI=1S/C8H13N3O/c1-7(12)4-11(2)5-8-3-9-6-10-8/h3,6H,4-5H2,1-2H3,(H,9,10)
InChIKeyNHIANBUYFKOFTH-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.43
Rot. Bonds4

About 1-[1H-imidazol-5-ylmethyl(methyl)amino]propan-2-one

1-[1H-imidazol-5-ylmethyl(methyl)amino]propan-2-one (PubChem CID 167242338) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[1H-imidazol-5-ylmethyl(methyl)amino]propan-2-one.

Molecular Properties

Compound Name1-[1H-imidazol-5-ylmethyl(methyl)amino]propan-2-one
PubChem CID167242338
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-[1H-imidazol-5-ylmethyl(methyl)amino]propan-2-one
SMILESCC(=O)CN(C)Cc1cnc[nH]1
InChIInChI=1S/C8H13N3O/c1-7(12)4-11(2)5-8-3-9-6-10-8/h3,6H,4-5H2,1-2H3,(H,9,10)
InChIKeyNHIANBUYFKOFTH-UHFFFAOYSA-N
XLogP0.43
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-[1H-imidazol-5-ylmethyl(methyl)amino]acetamide
CID 122157794
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CID 176952178
3-[ethyl(1H-imidazol-5-ylmethyl)amino]propanoic acid
CID 84758753
10-(1H-imidazol-5-yl)decan-2-one
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N-cyclopropyl-4-[[1H-imidazol-5-ylmethyl(methyl)amino]methyl]benzamide
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2-(1H-imidazol-5-yl)acetamide;hydrochloride
CID 67500696
N-(1H-imidazol-5-ylmethyl)but-2-enamide
CID 77075616
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
1-(1H-imidazol-5-yl)-3-methylbutan-2-one
CID 59668993
N-[2-fluoro-4-(4-fluorophenyl)phenyl]-N-(1H-imidazol-5-ylmethyl)acetamide
CID 73355728
(2S)-3-(1H-imidazol-5-yl)-2-[methyl(2-oxopropanoyl)amino]propanoic acid
CID 66780464

Frequently Asked Questions

What is the IUPAC name of 1-[1H-imidazol-5-ylmethyl(methyl)amino]propan-2-one?
The IUPAC name of 1-[1H-imidazol-5-ylmethyl(methyl)amino]propan-2-one (CID 167242338) is 1-[1H-imidazol-5-ylmethyl(methyl)amino]propan-2-one.
What is the SMILES notation for 1-[1H-imidazol-5-ylmethyl(methyl)amino]propan-2-one?
The canonical SMILES for 1-[1H-imidazol-5-ylmethyl(methyl)amino]propan-2-one is CC(=O)CN(C)Cc1cnc[nH]1.
What is the InChIKey of 1-[1H-imidazol-5-ylmethyl(methyl)amino]propan-2-one?
The InChIKey is NHIANBUYFKOFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7(12)4-11(2)5-8-3-9-6-10-8/h3,6H,4-5H2,1-2H3,(H,9,10).
What are the key properties of 1-[1H-imidazol-5-ylmethyl(methyl)amino]propan-2-one?
1-[1H-imidazol-5-ylmethyl(methyl)amino]propan-2-one has a molecular weight of 167.21 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1H-imidazol-5-ylmethyl(methyl)amino]propan-2-one is sourced from PubChem (CID 167242338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).