N-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide

C23H17N3O2 — CID 94867844

IUPACN-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C23H17N3O2/c27-23(17-7-5-16(6-8-17)14-26-12-11-24-15-26)25-18-9-10-20-19-3-1-2-4-21(19)28-22(20)13-18/h1-13,15H,14H2,(H,25,27)
InChIKeyDVGCWNPZFNBZKS-UHFFFAOYSA-N
MW367.41 g/mol
LogP5.08
Rot. Bonds4

About N-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide

N-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 94867844) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide
PubChem CID94867844
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC NameN-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C23H17N3O2/c27-23(17-7-5-16(6-8-17)14-26-12-11-24-15-26)25-18-9-10-20-19-3-1-2-4-21(19)28-22(20)13-18/h1-13,15H,14H2,(H,25,27)
InChIKeyDVGCWNPZFNBZKS-UHFFFAOYSA-N
XLogP5.08
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43924465
N-[3-(butanoylamino)phenyl]-4-(imidazol-1-ylmethyl)benzamide
CID 87041023
N-dibenzofuran-3-yl-4-phenylbenzamide
CID 3125062
4-(imidazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]benzamide
CID 166201634
4-(imidazol-1-ylmethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 86846693
N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922042
N-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43921399
N-[4-[[4-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 37425019
N-dibenzofuran-3-yl-3,4-dimethylbenzamide
CID 3259661
N-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 38101764
4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 55719023
4-(imidazol-1-ylmethyl)-N-(2-phenylethenyl)benzamide
CID 174355891

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide (CID 94867844) is N-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide is O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is DVGCWNPZFNBZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c27-23(17-7-5-16(6-8-17)14-26-12-11-24-15-26)25-18-9-10-20-19-3-1-2-4-21(19)28-22(20)13-18/h1-13,15H,14H2,(H,25,27).
What are the key properties of N-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide?
N-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 367.41 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 94867844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).