4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide

C24H23N3O — CID 53063067

IUPAC4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCn2c(-c3ccc(C)cc3)nc3ccccc32)cc1
InChIInChI=1S/C24H23N3O/c1-17-7-11-19(12-8-17)23-26-21-5-3-4-6-22(21)27(23)16-15-25-24(28)20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3,(H,25,28)
InChIKeyYRUGONIFGYXMSK-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.75
Rot. Bonds5

About 4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide

4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide (PubChem CID 53063067) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
PubChem CID53063067
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCn2c(-c3ccc(C)cc3)nc3ccccc32)cc1
InChIInChI=1S/C24H23N3O/c1-17-7-11-19(12-8-17)23-26-21-5-3-4-6-22(21)27(23)16-15-25-24(28)20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3,(H,25,28)
InChIKeyYRUGONIFGYXMSK-UHFFFAOYSA-N
XLogP4.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 46287017
1-[(4-methylphenyl)methyl]-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
CID 46287171
1-[(2S)-butan-2-yl]-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 92865598
1-(3-methylphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 20955716
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 84571531
N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide
CID 53063187
4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide
CID 16976514
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 16976522
2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide
CID 53063086
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea
CID 46286966

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide (CID 53063067) is 4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide is Cc1ccc(C(=O)NCCn2c(-c3ccc(C)cc3)nc3ccccc32)cc1.
What is the InChIKey of 4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide?
The InChIKey is YRUGONIFGYXMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-17-7-11-19(12-8-17)23-26-21-5-3-4-6-22(21)27(23)16-15-25-24(28)20-13-9-18(2)10-14-20/h3-14H,15-16H2,1-2H3,(H,25,28).
What are the key properties of 4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide?
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide has a molecular weight of 369.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 53063067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).