N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide

C18H19N3O3 — CID 111482745

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESCC(O)(CNC(=O)c1ccc(Cn2ccnc2)cc1)c1ccco1
InChIInChI=1S/C18H19N3O3/c1-18(23,16-3-2-10-24-16)12-20-17(22)15-6-4-14(5-7-15)11-21-9-8-19-13-21/h2-10,13,23H,11-12H2,1H3,(H,20,22)
InChIKeyNAKAINJSWGTIGT-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.16
Rot. Bonds6

About N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 111482745) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide
PubChem CID111482745
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESCC(O)(CNC(=O)c1ccc(Cn2ccnc2)cc1)c1ccco1
InChIInChI=1S/C18H19N3O3/c1-18(23,16-3-2-10-24-16)12-20-17(22)15-6-4-14(5-7-15)11-21-9-8-19-13-21/h2-10,13,23H,11-12H2,1H3,(H,20,22)
InChIKeyNAKAINJSWGTIGT-UHFFFAOYSA-N
XLogP2.16
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(imidazol-1-ylmethyl)benzamide
CID 111452292
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 37425019
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-4-phenylbenzamide
CID 95983664
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479
4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482555
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide
CID 111481964
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111482264
N-(2-tert-butylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922772
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide
CID 111482013
5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111482154
N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide
CID 121085807

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide (CID 111482745) is N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide is CC(O)(CNC(=O)c1ccc(Cn2ccnc2)cc1)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is NAKAINJSWGTIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-18(23,16-3-2-10-24-16)12-20-17(22)15-6-4-14(5-7-15)11-21-9-8-19-13-21/h2-10,13,23H,11-12H2,1H3,(H,20,22).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 325.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 111482745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).