N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide

C23H21N3O2 — CID 60592481

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide
SMILESCC(NC(=O)c1cccc(OCc2ccccc2)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H21N3O2/c1-16(22-25-20-12-5-6-13-21(20)26-22)24-23(27)18-10-7-11-19(14-18)28-15-17-8-3-2-4-9-17/h2-14,16H,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyVAGLVJHHUGCADR-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.63
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide (PubChem CID 60592481) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide
PubChem CID60592481
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide
SMILESCC(NC(=O)c1cccc(OCc2ccccc2)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H21N3O2/c1-16(22-25-20-12-5-6-13-21(20)26-22)24-23(27)18-10-7-11-19(14-18)28-15-17-8-3-2-4-9-17/h2-14,16H,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyVAGLVJHHUGCADR-UHFFFAOYSA-N
XLogP4.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 18116381
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
CID 18116392
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 55380856
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(propanoylamino)benzamide
CID 60509786
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide
CID 22695827
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 77082172
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 43889810
3-(benzenesulfonylmethyl)-N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)ethyl]benzamide
CID 100613262
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide (CID 60592481) is N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide is CC(NC(=O)c1cccc(OCc2ccccc2)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide?
The InChIKey is VAGLVJHHUGCADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16(22-25-20-12-5-6-13-21(20)26-22)24-23(27)18-10-7-11-19(14-18)28-15-17-8-3-2-4-9-17/h2-14,16H,15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide has a molecular weight of 371.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 60592481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).