3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

C26H26N4O2 — CID 16977708

IUPAC3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2nc3ccccc3n2CC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C26H26N4O2/c1-19-9-8-10-20(17-19)26(32)27-16-15-24-28-22-13-6-7-14-23(22)30(24)18-25(31)29(2)21-11-4-3-5-12-21/h3-14,17H,15-16,18H2,1-2H3,(H,27,32)
InChIKeyHCAQUPSJVKQOMR-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.98
Rot. Bonds7

About 3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16977708) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16977708
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2nc3ccccc3n2CC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C26H26N4O2/c1-19-9-8-10-20(17-19)26(32)27-16-15-24-28-22-13-6-7-14-23(22)30(24)18-25(31)29(2)21-11-4-3-5-12-21/h3-14,17H,15-16,18H2,1-2H3,(H,27,32)
InChIKeyHCAQUPSJVKQOMR-UHFFFAOYSA-N
XLogP3.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977702
N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977725
N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030842
3-methyl-N-[2-[1-[2-(2-methylpropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030797
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030796
N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide
CID 17031577
3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977868
4-fluoro-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 16984537
2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989568
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977611
4-chloro-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991512
2-(4-methoxyphenyl)-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979690

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 16977708) is 3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is Cc1cccc(C(=O)NCCc2nc3ccccc3n2CC(=O)N(C)c2ccccc2)c1.
What is the InChIKey of 3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is HCAQUPSJVKQOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-19-9-8-10-20(17-19)26(32)27-16-15-24-28-22-13-6-7-14-23(22)30(24)18-25(31)29(2)21-11-4-3-5-12-21/h3-14,17H,15-16,18H2,1-2H3,(H,27,32).
What are the key properties of 3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 426.52 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16977708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).