2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-ethyl-N-propylbenzamide

C16H24N4O — CID 22493401

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-ethyl-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1ccccc1NCC1=NCCN1
InChIInChI=1S/C16H24N4O/c1-3-11-20(4-2)16(21)13-7-5-6-8-14(13)19-12-15-17-9-10-18-15/h5-8,19H,3-4,9-12H2,1-2H3,(H,17,18)
InChIKeyGBDMPVCOGLRHJI-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.97
Rot. Bonds7

About 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-ethyl-N-propylbenzamide

2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-ethyl-N-propylbenzamide (PubChem CID 22493401) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-ethyl-N-propylbenzamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-ethyl-N-propylbenzamide
PubChem CID22493401
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-ethyl-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1ccccc1NCC1=NCCN1
InChIInChI=1S/C16H24N4O/c1-3-11-20(4-2)16(21)13-7-5-6-8-14(13)19-12-15-17-9-10-18-15/h5-8,19H,3-4,9-12H2,1-2H3,(H,17,18)
InChIKeyGBDMPVCOGLRHJI-UHFFFAOYSA-N
XLogP1.97
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-ethyl-N-propylbenzamide?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-ethyl-N-propylbenzamide (CID 22493401) is 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-ethyl-N-propylbenzamide.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-ethyl-N-propylbenzamide?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-ethyl-N-propylbenzamide is CCCN(CC)C(=O)c1ccccc1NCC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-ethyl-N-propylbenzamide?
The InChIKey is GBDMPVCOGLRHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-11-20(4-2)16(21)13-7-5-6-8-14(13)19-12-15-17-9-10-18-15/h5-8,19H,3-4,9-12H2,1-2H3,(H,17,18).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-ethyl-N-propylbenzamide?
2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-ethyl-N-propylbenzamide has a molecular weight of 288.39 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-ethyl-N-propylbenzamide is sourced from PubChem (CID 22493401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).