N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide

C16H15N5O — CID 90588830

IUPACN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccnc1-c1ncccn1)c1ccccc1
InChIInChI=1S/C16H15N5O/c22-16(13-5-2-1-3-6-13)20-10-12-21-11-9-19-15(21)14-17-7-4-8-18-14/h1-9,11H,10,12H2,(H,20,22)
InChIKeyLRRBAZVLZQXYEC-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.77
Rot. Bonds5

About N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide

N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide (PubChem CID 90588830) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide
PubChem CID90588830
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccnc1-c1ncccn1)c1ccccc1
InChIInChI=1S/C16H15N5O/c22-16(13-5-2-1-3-6-13)20-10-12-21-11-9-19-15(21)14-17-7-4-8-18-14/h1-9,11H,10,12H2,(H,20,22)
InChIKeyLRRBAZVLZQXYEC-UHFFFAOYSA-N
XLogP1.77
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]benzamide
CID 86266110
3,4,5-triethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide
CID 90588973
1-(2-methoxyethyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea
CID 90589073
4-chloro-3-nitro-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide
CID 90588939
1-(4-chlorophenyl)-3-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]urea
CID 90589085
1-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71808259
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-carboxamide
CID 86266129
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide
CID 71808214
N-[2-[2-(2-ethoxyphenyl)imidazol-1-yl]ethyl]pyridine-3-carboxamide
CID 56915953
N-[2-(2,4-dioxopyrimidin-1-yl)ethyl]benzamide
CID 130431983
N-[3-(2-nitroimidazol-1-yl)propyl]benzamide
CID 175787458
N-[2-[2-(4-imidazol-1-ylphenyl)imidazol-1-yl]ethyl]pyridine-4-carboxamide
CID 70785744

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide?
The IUPAC name of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide (CID 90588830) is N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide is O=C(NCCn1ccnc1-c1ncccn1)c1ccccc1.
What is the InChIKey of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide?
The InChIKey is LRRBAZVLZQXYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c22-16(13-5-2-1-3-6-13)20-10-12-21-11-9-19-15(21)14-17-7-4-8-18-14/h1-9,11H,10,12H2,(H,20,22).
What are the key properties of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide?
N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide has a molecular weight of 293.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 90588830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).