N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide

C23H21N3O4 — CID 51109807

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1OC
InChIInChI=1S/C23H21N3O4/c1-28-19-13-21(30-3)20(29-2)12-16(19)23(27)24-15-8-6-7-14(11-15)22-25-17-9-4-5-10-18(17)26-22/h4-13H,1-3H3,(H,24,27)(H,25,26)
InChIKeyGWBDCELMZZYBSM-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.51
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide (PubChem CID 51109807) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide
PubChem CID51109807
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1OC
InChIInChI=1S/C23H21N3O4/c1-28-19-13-21(30-3)20(29-2)12-16(19)23(27)24-15-8-6-7-14(11-15)22-25-17-9-4-5-10-18(17)26-22/h4-13H,1-3H3,(H,24,27)(H,25,26)
InChIKeyGWBDCELMZZYBSM-UHFFFAOYSA-N
XLogP4.51
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
dimethyl (E)-2-[3-(1H-benzimidazol-2-yl)anilino]but-2-enedioate
CID 168568180
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 4227842
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide
CID 3706187
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78792274
[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 5058448
2-(benzenesulfonamido)-N-[3-(1H-benzimidazol-2-yl)phenyl]benzamide
CID 121040702
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 1271219

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide (CID 51109807) is N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1OC.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide?
The InChIKey is GWBDCELMZZYBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-28-19-13-21(30-3)20(29-2)12-16(19)23(27)24-15-8-6-7-14(11-15)22-25-17-9-4-5-10-18(17)26-22/h4-13H,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide has a molecular weight of 403.44 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 51109807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).