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

C18H18N4O — CID 71619371

IUPACN-[(1-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCn1cnc(CN(Cc2ccccn2)C(=O)c2ccccc2)c1
InChIInChI=1S/C18H18N4O/c1-21-11-17(20-14-21)13-22(12-16-9-5-6-10-19-16)18(23)15-7-3-2-4-8-15/h2-11,14H,12-13H2,1H3
InChIKeyYQCLDELWBJWFBE-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.66
Rot. Bonds5

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

N-[(1-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 71619371) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(1-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID71619371
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[(1-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCn1cnc(CN(Cc2ccccn2)C(=O)c2ccccc2)c1
InChIInChI=1S/C18H18N4O/c1-21-11-17(20-14-21)13-22(12-16-9-5-6-10-19-16)18(23)15-7-3-2-4-8-15/h2-11,14H,12-13H2,1H3
InChIKeyYQCLDELWBJWFBE-UHFFFAOYSA-N
XLogP2.66
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of N-[(1-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide (CID 71619371) is N-[(1-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for N-[(1-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for N-[(1-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide is Cn1cnc(CN(Cc2ccccn2)C(=O)c2ccccc2)c1.
What is the InChIKey of N-[(1-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is YQCLDELWBJWFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-21-11-17(20-14-21)13-22(12-16-9-5-6-10-19-16)18(23)15-7-3-2-4-8-15/h2-11,14H,12-13H2,1H3.
What are the key properties of N-[(1-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide?
N-[(1-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 306.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 71619371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).