4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide

C18H18N4O — CID 43921887

IUPAC4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1nccn1Cc1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C18H18N4O/c1-14-20-9-10-22(14)13-15-4-6-17(7-5-15)18(23)21-12-16-3-2-8-19-11-16/h2-11H,12-13H2,1H3,(H,21,23)
InChIKeyYNPKAMARZFVSGO-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.56
Rot. Bonds5

About 4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide

4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 43921887) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID43921887
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1nccn1Cc1ccc(C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C18H18N4O/c1-14-20-9-10-22(14)13-15-4-6-17(7-5-15)18(23)21-12-16-3-2-8-19-11-16/h2-11H,12-13H2,1H3,(H,21,23)
InChIKeyYNPKAMARZFVSGO-UHFFFAOYSA-N
XLogP2.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918037
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 86821194
N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43918185
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 53159101
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43918417
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
CID 100588442
4-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 87000480
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921877
4-[(2-methylimidazol-1-yl)methyl]-N-(3-naphthalen-1-ylpropyl)benzamide
CID 100587934

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide (CID 43921887) is 4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide is Cc1nccn1Cc1ccc(C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is YNPKAMARZFVSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-14-20-9-10-22(14)13-15-4-6-17(7-5-15)18(23)21-12-16-3-2-8-19-11-16/h2-11H,12-13H2,1H3,(H,21,23).
What are the key properties of 4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 306.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 43921887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).