N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide

C20H26N4O — CID 56822078

IUPACN-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
SMILESCCN1CCC(N(C(=O)c2ccc(-n3ccnc3)cc2)C2CC2)CC1
InChIInChI=1S/C20H26N4O/c1-2-22-12-9-19(10-13-22)24(18-7-8-18)20(25)16-3-5-17(6-4-16)23-14-11-21-15-23/h3-6,11,14-15,18-19H,2,7-10,12-13H2,1H3
InChIKeyIDWUDRPAXZGLHP-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.96
Rot. Bonds5

About N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide

N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide (PubChem CID 56822078) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
PubChem CID56822078
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
SMILESCCN1CCC(N(C(=O)c2ccc(-n3ccnc3)cc2)C2CC2)CC1
InChIInChI=1S/C20H26N4O/c1-2-22-12-9-19(10-13-22)24(18-7-8-18)20(25)16-3-5-17(6-4-16)23-14-11-21-15-23/h3-6,11,14-15,18-19H,2,7-10,12-13H2,1H3
InChIKeyIDWUDRPAXZGLHP-UHFFFAOYSA-N
XLogP2.96
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 38532650
[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 129430226
4-imidazol-1-yl-N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 56891256
N-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]cyclopropanamine
CID 166180627
N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide
CID 21275378
N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide
CID 110484011
(4-imidazol-1-ylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 47159866
N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92680753
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N-[1-[(Z)-1-(dipropylamino)-2-nitroethenyl]piperidin-4-yl]-4-imidazol-1-yl-N-methylbenzamide
CID 19778073
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide
CID 110026224
N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide
CID 119659188

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide?
The IUPAC name of N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide (CID 56822078) is N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide is CCN1CCC(N(C(=O)c2ccc(-n3ccnc3)cc2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide?
The InChIKey is IDWUDRPAXZGLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-22-12-9-19(10-13-22)24(18-7-8-18)20(25)16-3-5-17(6-4-16)23-14-11-21-15-23/h3-6,11,14-15,18-19H,2,7-10,12-13H2,1H3.
What are the key properties of N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide?
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 56822078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).