4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide

C16H17N5O — CID 29028004

IUPAC4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide
SMILESCc1ccn(CCNC(=O)c2ccc(-n3ccnc3)cc2)n1
InChIInChI=1S/C16H17N5O/c1-13-6-9-21(19-13)11-8-18-16(22)14-2-4-15(5-3-14)20-10-7-17-12-20/h2-7,9-10,12H,8,11H2,1H3,(H,18,22)
InChIKeyLFFRCNVKMQVEPE-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.81
Rot. Bonds5

About 4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide

4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide (PubChem CID 29028004) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide
PubChem CID29028004
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide
SMILESCc1ccn(CCNC(=O)c2ccc(-n3ccnc3)cc2)n1
InChIInChI=1S/C16H17N5O/c1-13-6-9-21(19-13)11-8-18-16(22)14-2-4-15(5-3-14)20-10-7-17-12-20/h2-7,9-10,12H,8,11H2,1H3,(H,18,22)
InChIKeyLFFRCNVKMQVEPE-UHFFFAOYSA-N
XLogP1.81
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-imidazol-1-yl-N-propylbenzamide
CID 31533072
4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 31533394
N-[2-[2-(4-imidazol-1-ylphenyl)imidazol-1-yl]ethyl]pyridine-4-carboxamide
CID 70785744
4-imidazol-1-yl-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31533502
N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide
CID 38336531
N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide
CID 31533323
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 48994302
4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 44589177
N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide
CID 135478140
N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride
CID 23044294
4-(difluoromethoxy)-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323728

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide (CID 29028004) is 4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide is Cc1ccn(CCNC(=O)c2ccc(-n3ccnc3)cc2)n1.
What is the InChIKey of 4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is LFFRCNVKMQVEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-13-6-9-21(19-13)11-8-18-16(22)14-2-4-15(5-3-14)20-10-7-17-12-20/h2-7,9-10,12H,8,11H2,1H3,(H,18,22).
What are the key properties of 4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide?
4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 295.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[2-(3-methylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 29028004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).