4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide

C18H21N5O — CID 119069701

IUPAC4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(-c2nccn2C)cc1)c1cnn(C)c1
InChIInChI=1S/C18H21N5O/c1-4-16(15-11-20-23(3)12-15)21-18(24)14-7-5-13(6-8-14)17-19-9-10-22(17)2/h5-12,16H,4H2,1-3H3,(H,21,24)
InChIKeyNHOIMGZZKPZDRV-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.70
Rot. Bonds5

About 4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide

4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide (PubChem CID 119069701) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
PubChem CID119069701
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(-c2nccn2C)cc1)c1cnn(C)c1
InChIInChI=1S/C18H21N5O/c1-4-16(15-11-20-23(3)12-15)21-18(24)14-7-5-13(6-8-14)17-19-9-10-22(17)2/h5-12,16H,4H2,1-3H3,(H,21,24)
InChIKeyNHOIMGZZKPZDRV-UHFFFAOYSA-N
XLogP2.70
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide?
The IUPAC name of 4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide (CID 119069701) is 4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide is CCC(NC(=O)c1ccc(-c2nccn2C)cc1)c1cnn(C)c1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide?
The InChIKey is NHOIMGZZKPZDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-4-16(15-11-20-23(3)12-15)21-18(24)14-7-5-13(6-8-14)17-19-9-10-22(17)2/h5-12,16H,4H2,1-3H3,(H,21,24).
What are the key properties of 4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide?
4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 119069701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).