2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1H-pyrrol-2-yl)ethanone

C12H16N4O — CID 60681614

IUPAC2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1H-pyrrol-2-yl)ethanone
SMILESCN(CC(=O)c1ccc[nH]1)Cc1nccn1C
InChIInChI=1S/C12H16N4O/c1-15(9-12-14-6-7-16(12)2)8-11(17)10-4-3-5-13-10/h3-7,13H,8-9H2,1-2H3
InChIKeySUYHTUJRBZORNW-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.06
Rot. Bonds5

About 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1H-pyrrol-2-yl)ethanone

2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 60681614) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1H-pyrrol-2-yl)ethanone
PubChem CID60681614
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1H-pyrrol-2-yl)ethanone
SMILESCN(CC(=O)c1ccc[nH]1)Cc1nccn1C
InChIInChI=1S/C12H16N4O/c1-15(9-12-14-6-7-16(12)2)8-11(17)10-4-3-5-13-10/h3-7,13H,8-9H2,1-2H3
InChIKeySUYHTUJRBZORNW-UHFFFAOYSA-N
XLogP1.06
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 60681661
ethyl 4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-oxobutanoate
CID 63896476
2-[2,2-difluoroethyl(methyl)amino]-1-(1H-pyrrol-2-yl)ethanone
CID 115611827
methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 62011854
N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide
CID 76982036
N-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 63015483
2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]benzoic acid
CID 104548761
N-(2-amino-5-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 63014778
[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 55144419
2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol
CID 64792480
2-amino-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-phenylpropanoic acid
CID 63024592
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 63013604

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1H-pyrrol-2-yl)ethanone (CID 60681614) is 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1H-pyrrol-2-yl)ethanone is CN(CC(=O)c1ccc[nH]1)Cc1nccn1C.
What is the InChIKey of 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is SUYHTUJRBZORNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-15(9-12-14-6-7-16(12)2)8-11(17)10-4-3-5-13-10/h3-7,13H,8-9H2,1-2H3.
What are the key properties of 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1H-pyrrol-2-yl)ethanone?
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 232.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 60681614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).