N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide

C21H26N4O4 — CID 22246046

IUPACN-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide
SMILESO=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(OCC(CO)CO)cc1
InChIInChI=1S/C21H26N4O4/c26-12-16(13-27)14-29-19-7-3-17(4-8-19)20(28)24-11-15-1-5-18(6-2-15)25-21-22-9-10-23-21/h1-8,16,26-27H,9-14H2,(H,24,28)(H2,22,23,25)
InChIKeyGYWGOFTUFJGIEH-UHFFFAOYSA-N
MW398.46 g/mol
LogP0.97
Rot. Bonds9

About N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide

N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide (PubChem CID 22246046) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide.

Molecular Properties

Compound NameN-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide
PubChem CID22246046
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide
SMILESO=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(OCC(CO)CO)cc1
InChIInChI=1S/C21H26N4O4/c26-12-16(13-27)14-29-19-7-3-17(4-8-19)20(28)24-11-15-1-5-18(6-2-15)25-21-22-9-10-23-21/h1-8,16,26-27H,9-14H2,(H,24,28)(H2,22,23,25)
InChIKeyGYWGOFTUFJGIEH-UHFFFAOYSA-N
XLogP0.97
TPSA115.21 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 50.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide
CID 22246058
N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidin-4-ylethoxy)benzamide
CID 22246022
N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-pyrazol-1-ylbenzamide;methane
CID 158896039
N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 22246071
1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenoxy]-5-(3,4-dimethoxyphenyl)pentan-2-ol
CID 102059674
3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-naphthalen-2-ylpropan-1-one
CID 18469982
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911075
1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenoxy]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 102059671
N'-(2,2-difluoroacetyl)-4-[[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]triazol-1-yl]methyl]benzohydrazide
CID 170785776
1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride
CID 18469991
N-[12-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenoxy]dodecyl]-2,4-dihydroxy-6-methylbenzamide
CID 166625646

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide?
The IUPAC name of N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide (CID 22246046) is N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide.
What is the SMILES notation for N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide?
The canonical SMILES for N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide is O=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(OCC(CO)CO)cc1.
What is the InChIKey of N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide?
The InChIKey is GYWGOFTUFJGIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c26-12-16(13-27)14-29-19-7-3-17(4-8-19)20(28)24-11-15-1-5-18(6-2-15)25-21-22-9-10-23-21/h1-8,16,26-27H,9-14H2,(H,24,28)(H2,22,23,25).
What are the key properties of N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide?
N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide has a molecular weight of 398.46 g/mol, XLogP of 0.97, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-[3-hydroxy-2-(hydroxymethyl)propoxy]benzamide is sourced from PubChem (CID 22246046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).