3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide

C24H23N3O4 — CID 1077763

IUPAC3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)ncn3-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O4/c1-15-5-8-18(9-6-15)27-14-25-19-13-17(7-10-20(19)27)26-24(28)16-11-21(29-2)23(31-4)22(12-16)30-3/h5-14H,1-4H3,(H,26,28)
InChIKeyNOKUVISFOPVZHM-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.61
Rot. Bonds6

About 3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide

3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide (PubChem CID 1077763) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide
PubChem CID1077763
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)ncn3-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C24H23N3O4/c1-15-5-8-18(9-6-15)27-14-25-19-13-17(7-10-20(19)27)26-24(28)16-11-21(29-2)23(31-4)22(12-16)30-3/h5-14H,1-4H3,(H,26,28)
InChIKeyNOKUVISFOPVZHM-UHFFFAOYSA-N
XLogP4.61
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125
3,4,5-trimethoxy-N-[[3-[(4-methylbenzoyl)amino]phenyl]carbamoyl]benzamide
CID 58506929
N-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide
CID 1077765
3,5-dimethoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 2092676
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 18585505
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylbenzenesulfonamide
CID 1097865
N-(2-cyclopentylbenzotriazol-5-yl)-3,4,5-trimethoxybenzamide
CID 14638301
N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109265747
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)benzimidazol-5-amine
CID 2881374
3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 3861196

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide (CID 1077763) is 3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide is COc1cc(C(=O)Nc2ccc3c(c2)ncn3-c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide?
The InChIKey is NOKUVISFOPVZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-15-5-8-18(9-6-15)27-14-25-19-13-17(7-10-20(19)27)26-24(28)16-11-21(29-2)23(31-4)22(12-16)30-3/h5-14H,1-4H3,(H,26,28).
What are the key properties of 3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide?
3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide has a molecular weight of 417.47 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide is sourced from PubChem (CID 1077763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).