N-cyclopropyl-4-methoxy-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]benzamide

C18H19N5O2 — CID 70726568

IUPACN-cyclopropyl-4-methoxy-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CC2)cc1-n1ccnc1-c1nc[nH]c1C
InChIInChI=1S/C18H19N5O2/c1-11-16(21-10-20-11)17-19-7-8-23(17)14-9-12(3-6-15(14)25-2)18(24)22-13-4-5-13/h3,6-10,13H,4-5H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyZJMAUHRXRKGINM-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.47
Rot. Bonds5

About N-cyclopropyl-4-methoxy-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]benzamide

N-cyclopropyl-4-methoxy-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]benzamide (PubChem CID 70726568) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]benzamide
PubChem CID70726568
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-cyclopropyl-4-methoxy-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CC2)cc1-n1ccnc1-c1nc[nH]c1C
InChIInChI=1S/C18H19N5O2/c1-11-16(21-10-20-11)17-19-7-8-23(17)14-9-12(3-6-15(14)25-2)18(24)22-13-4-5-13/h3,6-10,13H,4-5H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyZJMAUHRXRKGINM-UHFFFAOYSA-N
XLogP2.47
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
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CID 114309034
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-cyclopropyl-4-methoxybenzamide
CID 169327765
4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
CID 89028279
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide
CID 171531137
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285092
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
CID 43652834

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methoxy-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]benzamide (CID 70726568) is N-cyclopropyl-4-methoxy-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]benzamide is COc1ccc(C(=O)NC2CC2)cc1-n1ccnc1-c1nc[nH]c1C.
What is the InChIKey of N-cyclopropyl-4-methoxy-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]benzamide?
The InChIKey is ZJMAUHRXRKGINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-16(21-10-20-11)17-19-7-8-23(17)14-9-12(3-6-15(14)25-2)18(24)22-13-4-5-13/h3,6-10,13H,4-5H2,1-2H3,(H,20,21)(H,22,24).
What are the key properties of N-cyclopropyl-4-methoxy-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]benzamide?
N-cyclopropyl-4-methoxy-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]benzamide has a molecular weight of 337.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]benzamide is sourced from PubChem (CID 70726568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).