N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide

C23H28N4O3 — CID 22246058

IUPACN-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide
SMILESO=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(OCC2CCOCC2)cc1
InChIInChI=1S/C23H28N4O3/c28-22(19-3-7-21(8-4-19)30-16-18-9-13-29-14-10-18)26-15-17-1-5-20(6-2-17)27-23-24-11-12-25-23/h1-8,18H,9-16H2,(H,26,28)(H2,24,25,27)
InChIKeyZKXIRXDRMIDPRZ-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.79
Rot. Bonds7

About N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide

N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide (PubChem CID 22246058) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide
PubChem CID22246058
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide
SMILESO=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(OCC2CCOCC2)cc1
InChIInChI=1S/C23H28N4O3/c28-22(19-3-7-21(8-4-19)30-16-18-9-13-29-14-10-18)26-15-17-1-5-20(6-2-17)27-23-24-11-12-25-23/h1-8,18H,9-16H2,(H,26,28)(H2,24,25,27)
InChIKeyZKXIRXDRMIDPRZ-UHFFFAOYSA-N
XLogP2.79
TPSA83.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide
CID 22246046
N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide
CID 22246022
N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815404
4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 75371278
[4-[[4-(cyclohexylmethoxy)phenyl]methylcarbamoyl]phenyl] dihydrogen phosphate
CID 10812007
2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide
CID 164513641
4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 91641650
N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119329303
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea
CID 71992090
4-[3-(piperidin-4-ylmethoxy)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 162348631
N-(2-amino-2-oxoethyl)-4-[[[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]benzamide
CID 46494621

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide?
The IUPAC name of N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide (CID 22246058) is N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide?
The canonical SMILES for N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide is O=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(OCC2CCOCC2)cc1.
What is the InChIKey of N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide?
The InChIKey is ZKXIRXDRMIDPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c28-22(19-3-7-21(8-4-19)30-16-18-9-13-29-14-10-18)26-15-17-1-5-20(6-2-17)27-23-24-11-12-25-23/h1-8,18H,9-16H2,(H,26,28)(H2,24,25,27).
What are the key properties of N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide?
N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide has a molecular weight of 408.50 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide is sourced from PubChem (CID 22246058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).