N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide

C23H21N3O2 — CID 60542645

IUPACN-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(c1ccc(Cn2ccnc2)cc1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C23H21N3O2/c27-23(21-10-8-20(9-11-21)15-25-13-12-24-18-25)26(17-22-7-4-14-28-22)16-19-5-2-1-3-6-19/h1-14,18H,15-17H2
InChIKeyVVXFRTYEIPXSNF-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.37
Rot. Bonds7

About N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide

N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 60542645) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide
PubChem CID60542645
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(c1ccc(Cn2ccnc2)cc1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C23H21N3O2/c27-23(21-10-8-20(9-11-21)15-25-13-12-24-18-25)26(17-22-7-4-14-28-22)16-19-5-2-1-3-6-19/h1-14,18H,15-17H2
InChIKeyVVXFRTYEIPXSNF-UHFFFAOYSA-N
XLogP4.37
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
N-benzyl-4-cyano-N-(furan-2-ylmethyl)benzamide
CID 37429743
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
N-benzyl-N-(furan-2-ylmethyl)-6-methoxypyridine-3-carboxamide
CID 34907486
N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 37425019
N-benzyl-N-(furan-2-ylmethyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 37428479
N-benzyl-N-(furan-2-ylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 34907635
4-(benzimidazol-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 112812157
N-benzyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 55334081
N-(furan-2-ylmethyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzamide
CID 59260608
N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 78843578

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide (CID 60542645) is N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide is O=C(c1ccc(Cn2ccnc2)cc1)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is VVXFRTYEIPXSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-23(21-10-8-20(9-11-21)15-25-13-12-24-18-25)26(17-22-7-4-14-28-22)16-19-5-2-1-3-6-19/h1-14,18H,15-17H2.
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide?
N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 371.44 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 60542645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).