N-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide

C17H27N5O — CID 72902277

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide
SMILESCCCN(Cc1nccn1C)C(=O)C(C)n1ccnc1C(C)C
InChIInChI=1S/C17H27N5O/c1-6-9-21(12-15-18-7-10-20(15)5)17(23)14(4)22-11-8-19-16(22)13(2)3/h7-8,10-11,13-14H,6,9,12H2,1-5H3
InChIKeyGKFDRGYULIKGLV-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.74
Rot. Bonds7

About N-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide

N-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide (PubChem CID 72902277) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide
PubChem CID72902277
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide
SMILESCCCN(Cc1nccn1C)C(=O)C(C)n1ccnc1C(C)C
InChIInChI=1S/C17H27N5O/c1-6-9-21(12-15-18-7-10-20(15)5)17(23)14(4)22-11-8-19-16(22)13(2)3/h7-8,10-11,13-14H,6,9,12H2,1-5H3
InChIKeyGKFDRGYULIKGLV-UHFFFAOYSA-N
XLogP2.74
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-ethyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 95128950
(2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97275416
3-(azocan-1-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylpropanamide
CID 47000347
3-[1-(4-ethoxyphenyl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 122564217
1-[(1-methylimidazol-2-yl)methyl]-3-(2-propan-2-ylsulfanylphenyl)-1-propylurea
CID 72929270
1-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 157011985
1-[(1-methylimidazol-2-yl)methyl]-3-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-1-propylurea
CID 125441423
1-[(1-methylimidazol-2-yl)methyl]-3-(2-methyl-1-pyridin-3-ylpropyl)-1-propylurea
CID 122563927
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600
2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(1-methylimidazol-2-yl)methyl]-N-propylacetamide
CID 72843385
N-[(1-methylimidazol-2-yl)methyl]-2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-propylacetamide
CID 95727042
3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 72916605

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide (CID 72902277) is N-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide is CCCN(Cc1nccn1C)C(=O)C(C)n1ccnc1C(C)C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide?
The InChIKey is GKFDRGYULIKGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-6-9-21(12-15-18-7-10-20(15)5)17(23)14(4)22-11-8-19-16(22)13(2)3/h7-8,10-11,13-14H,6,9,12H2,1-5H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide?
N-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide has a molecular weight of 317.44 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)-N-propylpropanamide is sourced from PubChem (CID 72902277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).