3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide

C28H31N3O4 — CID 60588886

IUPAC3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide
SMILESCCOc1cc(C(=O)NC(c2ccccc2)c2nc3ccccc3n2C)cc(OCC)c1OCC
InChIInChI=1S/C28H31N3O4/c1-5-33-23-17-20(18-24(34-6-2)26(23)35-7-3)28(32)30-25(19-13-9-8-10-14-19)27-29-21-15-11-12-16-22(21)31(27)4/h8-18,25H,5-7H2,1-4H3,(H,30,32)
InChIKeyJJOISNSUDFOLLB-UHFFFAOYSA-N
MW473.57 g/mol
LogP5.29
Rot. Bonds10

About 3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide

3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide (PubChem CID 60588886) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide
PubChem CID60588886
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide
SMILESCCOc1cc(C(=O)NC(c2ccccc2)c2nc3ccccc3n2C)cc(OCC)c1OCC
InChIInChI=1S/C28H31N3O4/c1-5-33-23-17-20(18-24(34-6-2)26(23)35-7-3)28(32)30-25(19-13-9-8-10-14-19)27-29-21-15-11-12-16-22(21)31(27)4/h8-18,25H,5-7H2,1-4H3,(H,30,32)
InChIKeyJJOISNSUDFOLLB-UHFFFAOYSA-N
XLogP5.29
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.57
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820643
1-methoxy-3-[(1-methylbenzimidazol-2-yl)-phenylmethyl]urea
CID 86816785
3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928137
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86846813
N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]thiadiazole-5-carboxamide
CID 95234713
N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]-N',N'-dipropylpentanediamide
CID 56540206
2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride
CID 119863897
methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate
CID 99613603
N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide
CID 51308652
7-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]heptanamide
CID 119863894
2-cyclopentyl-N-[(S)-(1-methylbenzimidazol-2-yl)-phenylmethyl]acetamide
CID 52535851
N-methyl-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 3009976

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide (CID 60588886) is 3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide is CCOc1cc(C(=O)NC(c2ccccc2)c2nc3ccccc3n2C)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide?
The InChIKey is JJOISNSUDFOLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-5-33-23-17-20(18-24(34-6-2)26(23)35-7-3)28(32)30-25(19-13-9-8-10-14-19)27-29-21-15-11-12-16-22(21)31(27)4/h8-18,25H,5-7H2,1-4H3,(H,30,32).
What are the key properties of 3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide?
3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide has a molecular weight of 473.57 g/mol, XLogP of 5.29, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 60588886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).