4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide

C19H20N4O — CID 136579493

IUPAC4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(c1ccccn1)N(C)C(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H20N4O/c1-15(18-5-3-4-10-21-18)22(2)19(24)17-8-6-16(7-9-17)13-23-12-11-20-14-23/h3-12,14-15H,13H2,1-2H3
InChIKeySYVUSKKBDYHUBL-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.16
Rot. Bonds5

About 4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide

4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 136579493) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID136579493
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(c1ccccn1)N(C)C(=O)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H20N4O/c1-15(18-5-3-4-10-21-18)22(2)19(24)17-8-6-16(7-9-17)13-23-12-11-20-14-23/h3-12,14-15H,13H2,1-2H3
InChIKeySYVUSKKBDYHUBL-UHFFFAOYSA-N
XLogP3.16
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 95228851
N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 95277339
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
4-(imidazol-1-ylmethyl)-N-(1-phenylethyl)benzamide
CID 42959098
N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46774109
4-(imidazol-1-ylmethyl)benzoate
CID 42555847
5-(imidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 95553441
1-[(4-fluorophenyl)methyl]-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide
CID 42199626
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 118768447
3-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-methyl-1-(1-pyridin-2-ylethyl)urea
CID 86867437

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide (CID 136579493) is 4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide is CC(c1ccccn1)N(C)C(=O)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is SYVUSKKBDYHUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-15(18-5-3-4-10-21-18)22(2)19(24)17-8-6-16(7-9-17)13-23-12-11-20-14-23/h3-12,14-15H,13H2,1-2H3.
What are the key properties of 4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide?
4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide has a molecular weight of 320.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 136579493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).