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

C23H21N3O4 — CID 1104078

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc(OC)c1OC
InChIInChI=1S/C23H21N3O4/c1-28-19-12-15(13-20(29-2)21(19)30-3)23(27)24-16-8-6-7-14(11-16)22-25-17-9-4-5-10-18(17)26-22/h4-13H,1-3H3,(H,24,27)(H,25,26)
InChIKeyULVPCMQVZVIHTO-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.51
Rot. Bonds6

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

N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 1104078) 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]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
PubChem CID1104078
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc(OC)c1OC
InChIInChI=1S/C23H21N3O4/c1-28-19-12-15(13-20(29-2)21(19)30-3)23(27)24-16-8-6-7-14(11-16)22-25-17-9-4-5-10-18(17)26-22/h4-13H,1-3H3,(H,24,27)(H,25,26)
InChIKeyULVPCMQVZVIHTO-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]-4-methoxybenzamide
CID 2810335
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 51109807
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide
CID 2033052
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 4227842
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 5058448
N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 1492388
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide
CID 7522685
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide
CID 3131474
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide
CID 15997481
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]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide (CID 1104078) is N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc(OC)c1OC.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is ULVPCMQVZVIHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-28-19-12-15(13-20(29-2)21(19)30-3)23(27)24-16-8-6-7-14(11-16)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]-3,4,5-trimethoxybenzamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-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]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1104078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).