4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide

C16H20N4O — CID 66164704

IUPAC4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NCc2cncn2C2CC2)cc1
InChIInChI=1S/C16H20N4O/c1-2-18-16(21)12-3-5-13(6-4-12)19-10-15-9-17-11-20(15)14-7-8-14/h3-6,9,11,14,19H,2,7-8,10H2,1H3,(H,18,21)
InChIKeyOBVKDRGEEQHUFQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.58
Rot. Bonds6

About 4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide

4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide (PubChem CID 66164704) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide
PubChem CID66164704
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(NCc2cncn2C2CC2)cc1
InChIInChI=1S/C16H20N4O/c1-2-18-16(21)12-3-5-13(6-4-12)19-10-15-9-17-11-20(15)14-7-8-14/h3-6,9,11,14,19H,2,7-8,10H2,1H3,(H,18,21)
InChIKeyOBVKDRGEEQHUFQ-UHFFFAOYSA-N
XLogP2.58
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide?
The IUPAC name of 4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide (CID 66164704) is 4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide.
What is the SMILES notation for 4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide?
The canonical SMILES for 4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide is CCNC(=O)c1ccc(NCc2cncn2C2CC2)cc1.
What is the InChIKey of 4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide?
The InChIKey is OBVKDRGEEQHUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-18-16(21)12-3-5-13(6-4-12)19-10-15-9-17-11-20(15)14-7-8-14/h3-6,9,11,14,19H,2,7-8,10H2,1H3,(H,18,21).
What are the key properties of 4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide?
4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylbenzamide is sourced from PubChem (CID 66164704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).