N-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide

C19H20N4O — CID 167974637

IUPACN-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide
SMILESNCC(CNC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1
InChIInChI=1S/C19H20N4O/c20-12-17(15-4-2-1-3-5-15)13-22-19(24)16-6-8-18(9-7-16)23-11-10-21-14-23/h1-11,14,17H,12-13,20H2,(H,22,24)
InChIKeyHUYZQQOVBXKFJY-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.34
Rot. Bonds6

About N-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide

N-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide (PubChem CID 167974637) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide
PubChem CID167974637
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide
SMILESNCC(CNC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1
InChIInChI=1S/C19H20N4O/c20-12-17(15-4-2-1-3-5-15)13-22-19(24)16-6-8-18(9-7-16)23-11-10-21-14-23/h1-11,14,17H,12-13,20H2,(H,22,24)
InChIKeyHUYZQQOVBXKFJY-UHFFFAOYSA-N
XLogP2.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide
CID 111102738
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-imidazol-1-ylbenzamide
CID 42945317
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide
CID 164690314
4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide
CID 74240597
N-(2-aminophenyl)-4-imidazol-1-ylbenzamide
CID 110484015
N-[2-(3-chlorophenyl)ethyl]-4-imidazol-1-ylbenzamide
CID 31533323
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
4-imidazol-1-yl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 31533394
N-[(1S)-3-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082924
N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082928
N-(1,3-benzothiazol-2-yl)-4-imidazol-1-ylbenzamide
CID 31533716

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide?
The IUPAC name of N-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide (CID 167974637) is N-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide is NCC(CNC(=O)c1ccc(-n2ccnc2)cc1)c1ccccc1.
What is the InChIKey of N-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide?
The InChIKey is HUYZQQOVBXKFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c20-12-17(15-4-2-1-3-5-15)13-22-19(24)16-6-8-18(9-7-16)23-11-10-21-14-23/h1-11,14,17H,12-13,20H2,(H,22,24).
What are the key properties of N-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide?
N-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide has a molecular weight of 320.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-phenylpropyl)-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 167974637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).