4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide

C94H80N12O9 — CID 158888472

IUPAC4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)Cc2nc3ccccc3n2C)cc1.Cc1ccc(C(=O)Nc2ccccc2C(=O)Cc2nc3ccccc3n2C)cc1.Cn1c(CC(=O)c2ccccc2NC(=O)c2ccccc2)nc2ccccc21.Cn1c(CC(=O)c2ccccc2NC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H21N3O3.C24H21N3O2.2C23H19N3O2/c1-27-21-10-6-5-9-20(21)25-23(27)15-22(28)18-7-3-4-8-19(18)26-24(29)16-11-13-17(30-2)14-12-16;1-16-11-13-17(14-12-16)24(29)26-19-8-4-3-7-18(19)22(28)15-23-25-20-9-5-6-10-21(20)27(23)2;2*1-26-20-14-8-7-13-19(20)24-22(26)15-21(27)17-11-5-6-12-18(17)25-23(28)16-9-3-2-4-10-16/h3-14H,15H2,1-2H3,(H,26,29);3-14H,15H2,1-2H3,(H,26,29);2*2-14H,15H2,1H3,(H,25,28)
InChIKeyJDXPQHUSGFXNPF-UHFFFAOYSA-N
MW1521.75 g/mol
LogP17.32
Rot. Bonds21

About 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide

4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide (PubChem CID 158888472) has the molecular formula C94H80N12O9 and a molecular weight of 1521.75 g/mol. Its IUPAC name is 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide
PubChem CID158888472
Molecular FormulaC94H80N12O9
Molecular Weight1521.75 g/mol
Exact Mass1520.62
IUPAC Name4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)Cc2nc3ccccc3n2C)cc1.Cc1ccc(C(=O)Nc2ccccc2C(=O)Cc2nc3ccccc3n2C)cc1.Cn1c(CC(=O)c2ccccc2NC(=O)c2ccccc2)nc2ccccc21.Cn1c(CC(=O)c2ccccc2NC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H21N3O3.C24H21N3O2.2C23H19N3O2/c1-27-21-10-6-5-9-20(21)25-23(27)15-22(28)18-7-3-4-8-19(18)26-24(29)16-11-13-17(30-2)14-12-16;1-16-11-13-17(14-12-16)24(29)26-19-8-4-3-7-18(19)22(28)15-23-25-20-9-5-6-10-21(20)27(23)2;2*1-26-20-14-8-7-13-19(20)24-22(26)15-21(27)17-11-5-6-12-18(17)25-23(28)16-9-3-2-4-10-16/h3-14H,15H2,1-2H3,(H,26,29);3-14H,15H2,1-2H3,(H,26,29);2*2-14H,15H2,1H3,(H,25,28)
InChIKeyJDXPQHUSGFXNPF-UHFFFAOYSA-N
XLogP17.32
TPSA265.19 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001521.75
LogP ≤ 517.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

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Related Compounds

1-(4-benzyl-8b-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-[3-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylbenzimidazol-3-ium-1-yl]ethanone bromide
CID 127041917
2-[(4-methoxybenzoyl)amino]-N-(1-methylbenzimidazol-2-yl)benzamide
CID 1366204
4-methoxy-N-{1-[2-(pyrrolidin-1-yl)ethyl]-1H-benzimidazol-2-yl}benzamide
CID 90643405
N-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-4-methoxy-N-(4-methoxybenzoyl)benzamide
CID 12891746
2-(4-methoxyphenyl)-3-(1-methyl-1H-benzimidazol-2-yl)quinazolin-4(3H)-one
CID 1492403
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[4-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenoxy]benzamide
CID 5068845
3,3-Dimethyl-12-[4-[[2,4,5-tris[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
CID 138981674
12-[4-[3-[4-(3,3-Dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]-2,2-bis[[4-(3,3-dimethyl-1-oxo-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-12-yl)phenoxy]methyl]propoxy]phenyl]-3,3-dimethyl-2,4,5,12-tetrahydrobenzimidazolo[2,1-b]quinazolin-1-one
CID 138981677
2-(4-Methoxybenzoylamino)benzimidazole
CID 139070235
Bis[mu-2,2'-dimethyl-1,1'-(oxydiethylene)bis(1H-benzimidazole)-kappa^2^N^3^:N^3'^]bis[bis(4-methoxybenzoato-kappa^2^O,O')cadmium(II)]
CID 139078663
Ethyl 2-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-benzimidazole-5-carboxylate
CID 139082940
(1,3-Ph2acac)Co(II), 4-[(2-MeBenzIm)methyl]PhCONH2 (THF)
CID 139126668

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide (CID 158888472) is 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)Cc2nc3ccccc3n2C)cc1.Cc1ccc(C(=O)Nc2ccccc2C(=O)Cc2nc3ccccc3n2C)cc1.Cn1c(CC(=O)c2ccccc2NC(=O)c2ccccc2)nc2ccccc21.Cn1c(CC(=O)c2ccccc2NC(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide?
The InChIKey is JDXPQHUSGFXNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3.C24H21N3O2.2C23H19N3O2/c1-27-21-10-6-5-9-20(21)25-23(27)15-22(28)18-7-3-4-8-19(18)26-24(29)16-11-13-17(30-2)14-12-16;1-16-11-13-17(14-12-16)24(29)26-19-8-4-3-7-18(19)22(28)15-23-25-20-9-5-6-10-21(20)27(23)2;2*1-26-20-14-8-7-13-19(20)24-22(26)15-21(27)17-11-5-6-12-18(17)25-23(28)16-9-3-2-4-10-16/h3-14H,15H2,1-2H3,(H,26,29);3-14H,15H2,1-2H3,(H,26,29);2*2-14H,15H2,1H3,(H,25,28).
What are the key properties of 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide?
4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide has a molecular weight of 1521.75 g/mol, XLogP of 17.32, 21 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide is sourced from PubChem (CID 158888472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).