N-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide

C28H27N5O4 — CID 23761240

IUPACN-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3n2Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C28H27N5O4/c1-18-14-25(30-27(34)20-15-23(35-2)26(37-4)24(16-20)36-3)33(31-18)28-29-21-12-8-9-13-22(21)32(28)17-19-10-6-5-7-11-19/h5-16H,17H2,1-4H3,(H,30,34)
InChIKeyWTGXWZLNWVCXHU-UHFFFAOYSA-N
MW497.56 g/mol
LogP4.86
Rot. Bonds8

About N-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide

N-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide (PubChem CID 23761240) has the molecular formula C28H27N5O4 and a molecular weight of 497.56 g/mol. Its IUPAC name is N-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide
PubChem CID23761240
Molecular FormulaC28H27N5O4
Molecular Weight497.56 g/mol
Exact Mass497.21
IUPAC NameN-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3n2Cc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C28H27N5O4/c1-18-14-25(30-27(34)20-15-23(35-2)26(37-4)24(16-20)36-3)33(31-18)28-29-21-12-8-9-13-22(21)32(28)17-19-10-6-5-7-11-19/h5-16H,17H2,1-4H3,(H,30,34)
InChIKeyWTGXWZLNWVCXHU-UHFFFAOYSA-N
XLogP4.86
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(E)-N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6151720
N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-nitrobenzamide
CID 23861808
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 23936504
N-[2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 3484830
4-chloro-N-[2-(1-ethylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 23848230
N-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide
CID 1077765
5-bromo-N-[2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]furan-2-carboxamide
CID 23849769
N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide
CID 17417130
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-5-methylpyrazol-3-yl]-3,5-dinitrobenzamide
CID 23932625
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008546
N-[[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008549
4-fluoro-N-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]benzamide
CID 23959240

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide (CID 23761240) is N-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3n2Cc2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is WTGXWZLNWVCXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O4/c1-18-14-25(30-27(34)20-15-23(35-2)26(37-4)24(16-20)36-3)33(31-18)28-29-21-12-8-9-13-22(21)32(28)17-19-10-6-5-7-11-19/h5-16H,17H2,1-4H3,(H,30,34).
What are the key properties of N-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide?
N-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 497.56 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylbenzimidazol-2-yl)-5-methylpyrazol-3-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 23761240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).