N-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide

C19H15ClN4O2 — CID 55736367

IUPACN-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCn1ccnc1COc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1
InChIInChI=1S/C19H15ClN4O2/c1-24-9-8-22-18(24)12-26-16-6-3-13(4-7-16)19(25)23-15-5-2-14(11-21)17(20)10-15/h2-10H,12H2,1H3,(H,23,25)
InChIKeyGJRFVGIXHHHEQQ-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.78
Rot. Bonds5

About N-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide

N-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide (PubChem CID 55736367) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
PubChem CID55736367
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC NameN-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCn1ccnc1COc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1
InChIInChI=1S/C19H15ClN4O2/c1-24-9-8-22-18(24)12-26-16-6-3-13(4-7-16)19(25)23-15-5-2-14(11-21)17(20)10-15/h2-10H,12H2,1H3,(H,23,25)
InChIKeyGJRFVGIXHHHEQQ-UHFFFAOYSA-N
XLogP3.78
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzoate
CID 47038275
N-[4-(carbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793990
3,5-dichloro-4-methoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 55766590
N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736611
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
CID 56548654
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55859027
N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 56518850
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-methylpropoxy)benzamide
CID 55766270
1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide
CID 56506638
4-[(1-methylimidazol-2-yl)methoxy]-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 55869064
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736273
N-cyclohexyl-N-methyl-4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzamide
CID 55920263

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide (CID 55736367) is N-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide is Cn1ccnc1COc1ccc(C(=O)Nc2ccc(C#N)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The InChIKey is GJRFVGIXHHHEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-24-9-8-22-18(24)12-26-16-6-3-13(4-7-16)19(25)23-15-5-2-14(11-21)17(20)10-15/h2-10H,12H2,1H3,(H,23,25).
What are the key properties of N-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
N-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide has a molecular weight of 366.81 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 55736367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).