N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

C20H21N5O3 — CID 55736611

IUPACN-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2ccc(OCc3nccn3C)cc2)cc1
InChIInChI=1S/C20H21N5O3/c1-21-20(27)24-16-7-5-15(6-8-16)23-19(26)14-3-9-17(10-4-14)28-13-18-22-11-12-25(18)2/h3-12H,13H2,1-2H3,(H,23,26)(H2,21,24,27)
InChIKeyQUTBVEDEHJTOFW-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.00
Rot. Bonds6

About N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide (PubChem CID 55736611) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
PubChem CID55736611
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2ccc(OCc3nccn3C)cc2)cc1
InChIInChI=1S/C20H21N5O3/c1-21-20(27)24-16-7-5-15(6-8-16)23-19(26)14-3-9-17(10-4-14)28-13-18-22-11-12-25(18)2/h3-12H,13H2,1-2H3,(H,23,26)(H2,21,24,27)
InChIKeyQUTBVEDEHJTOFW-UHFFFAOYSA-N
XLogP3.00
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.00
H-Bond Donors ≤ 53
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
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
CID 56548654
1-[4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]phenyl]pyrazole-3-carboxamide
CID 56506638
3,5-dichloro-4-methoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 55766590
N-(3-chloro-4-cyanophenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736367
N-cyclohexyl-N-methyl-4-[[4-[(1-methylimidazol-2-yl)methoxy]benzoyl]amino]benzamide
CID 55920263
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
4-[(1-methylimidazol-2-yl)methoxy]-N-(2-propan-2-yloxyphenyl)benzamide
CID 55873336
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55859027
1-amino-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119858947

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The IUPAC name of N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide (CID 55736611) is N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The canonical SMILES for N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide is CNC(=O)Nc1ccc(NC(=O)c2ccc(OCc3nccn3C)cc2)cc1.
What is the InChIKey of N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The InChIKey is QUTBVEDEHJTOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-21-20(27)24-16-7-5-15(6-8-16)23-19(26)14-3-9-17(10-4-14)28-13-18-22-11-12-25(18)2/h3-12H,13H2,1-2H3,(H,23,26)(H2,21,24,27).
What are the key properties of N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide has a molecular weight of 379.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylcarbamoylamino)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 55736611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).