4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide

C14H18N4O — CID 66133167

IUPAC4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide
SMILESCCn1cncc1CNc1ccc(C(=O)NC)cc1
InChIInChI=1S/C14H18N4O/c1-3-18-10-16-8-13(18)9-17-12-6-4-11(5-7-12)14(19)15-2/h4-8,10,17H,3,9H2,1-2H3,(H,15,19)
InChIKeyBKHJQNLCUDGHLN-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.87
Rot. Bonds5

About 4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide

4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide (PubChem CID 66133167) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide
PubChem CID66133167
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide
SMILESCCn1cncc1CNc1ccc(C(=O)NC)cc1
InChIInChI=1S/C14H18N4O/c1-3-18-10-16-8-13(18)9-17-12-6-4-11(5-7-12)14(19)15-2/h4-8,10,17H,3,9H2,1-2H3,(H,15,19)
InChIKeyBKHJQNLCUDGHLN-UHFFFAOYSA-N
XLogP1.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide?
The IUPAC name of 4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide (CID 66133167) is 4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide?
The canonical SMILES for 4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide is CCn1cncc1CNc1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide?
The InChIKey is BKHJQNLCUDGHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-18-10-16-8-13(18)9-17-12-6-4-11(5-7-12)14(19)15-2/h4-8,10,17H,3,9H2,1-2H3,(H,15,19).
What are the key properties of 4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide?
4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide has a molecular weight of 258.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylimidazol-4-yl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 66133167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).