N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide

C18H19N5O — CID 121112648

IUPACN-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide
SMILESCc1nccn1-c1ncc(NC(=O)CCCc2ccccc2)cn1
InChIInChI=1S/C18H19N5O/c1-14-19-10-11-23(14)18-20-12-16(13-21-18)22-17(24)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,22,24)
InChIKeyBJKZSLDGDBAFMH-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.93
Rot. Bonds6

About N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide

N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide (PubChem CID 121112648) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide
PubChem CID121112648
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide
SMILESCc1nccn1-c1ncc(NC(=O)CCCc2ccccc2)cn1
InChIInChI=1S/C18H19N5O/c1-14-19-10-11-23(14)18-20-12-16(13-21-18)22-17(24)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,22,24)
InChIKeyBJKZSLDGDBAFMH-UHFFFAOYSA-N
XLogP2.93
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide
CID 121112542
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide
CID 122306542
3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112541
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide
CID 71799686
2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301003
N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide
CID 103789587
2-(1,3-benzodioxol-5-yl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301058
2-(4-methoxy-3-methylphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301081
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea
CID 71789920
4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301151
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide (CID 121112648) is N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide is Cc1nccn1-c1ncc(NC(=O)CCCc2ccccc2)cn1.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide?
The InChIKey is BJKZSLDGDBAFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-14-19-10-11-23(14)18-20-12-16(13-21-18)22-17(24)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,22,24).
What are the key properties of N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide?
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide has a molecular weight of 321.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-phenylbutanamide is sourced from PubChem (CID 121112648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).