2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-propan-2-ylbenzamide

C14H20N4O — CID 22493379

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NCC1=NCCN1
InChIInChI=1S/C14H20N4O/c1-10(2)18-14(19)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyZTVXUJSEZMDLLE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.24
Rot. Bonds5

About 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-propan-2-ylbenzamide

2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-propan-2-ylbenzamide (PubChem CID 22493379) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-propan-2-ylbenzamide
PubChem CID22493379
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NCC1=NCCN1
InChIInChI=1S/C14H20N4O/c1-10(2)18-14(19)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyZTVXUJSEZMDLLE-UHFFFAOYSA-N
XLogP1.24
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.24
H-Bond Donors ≤ 53
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-propan-2-ylbenzamide?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-propan-2-ylbenzamide (CID 22493379) is 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NCC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-propan-2-ylbenzamide?
The InChIKey is ZTVXUJSEZMDLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(2)18-14(19)11-5-3-4-6-12(11)17-9-13-15-7-8-16-13/h3-6,10,17H,7-9H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-propan-2-ylbenzamide?
2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-N-propan-2-ylbenzamide has a molecular weight of 260.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 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-propan-2-ylbenzamide is sourced from PubChem (CID 22493379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).