N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide

C20H19N3O2 — CID 126769462

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide
SMILESO=C(NCC1(O)CCc2ccccc21)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C20H19N3O2/c24-19(16-5-3-6-17(12-16)23-11-10-21-14-23)22-13-20(25)9-8-15-4-1-2-7-18(15)20/h1-7,10-12,14,25H,8-9,13H2,(H,22,24)
InChIKeyFUTVCDCLQLXFGH-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.44
Rot. Bonds4

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide (PubChem CID 126769462) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide
PubChem CID126769462
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide
SMILESO=C(NCC1(O)CCc2ccccc21)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C20H19N3O2/c24-19(16-5-3-6-17(12-16)23-11-10-21-14-23)22-13-20(25)9-8-15-4-1-2-7-18(15)20/h1-7,10-12,14,25H,8-9,13H2,(H,22,24)
InChIKeyFUTVCDCLQLXFGH-UHFFFAOYSA-N
XLogP2.44
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide
CID 111486071
3-cyano-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 71782130
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95983115
3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 154748801
3-(dimethylsulfamoyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 97060754
N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-pyrrol-1-ylbenzamide
CID 110311245
3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 95983082
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3,5-dimethylbenzamide
CID 90498997
N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide
CID 111425601
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]naphthalene-1-carboxamide
CID 95983093
2-fluoro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]pyridine-4-carboxamide
CID 111110496
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide
CID 111451547

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide (CID 126769462) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide is O=C(NCC1(O)CCc2ccccc21)c1cccc(-n2ccnc2)c1.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide?
The InChIKey is FUTVCDCLQLXFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-19(16-5-3-6-17(12-16)23-11-10-21-14-23)22-13-20(25)9-8-15-4-1-2-7-18(15)20/h1-7,10-12,14,25H,8-9,13H2,(H,22,24).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide has a molecular weight of 333.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide is sourced from PubChem (CID 126769462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).