3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide

C22H27N3O2 — CID 46448670

IUPAC3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(C)c1ccc(C(C)NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1
InChIInChI=1S/C22H27N3O2/c1-15(2)17-9-11-18(12-10-17)16(3)23-21(26)13-14-25-20-8-6-5-7-19(20)24(4)22(25)27/h5-12,15-16H,13-14H2,1-4H3,(H,23,26)
InChIKeyBBOGHIDPQQUUAF-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.73
Rot. Bonds6

About 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide (PubChem CID 46448670) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
PubChem CID46448670
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(C)c1ccc(C(C)NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1
InChIInChI=1S/C22H27N3O2/c1-15(2)17-9-11-18(12-10-17)16(3)23-21(26)13-14-25-20-8-6-5-7-19(20)24(4)22(25)27/h5-12,15-16H,13-14H2,1-4H3,(H,23,26)
InChIKeyBBOGHIDPQQUUAF-UHFFFAOYSA-N
XLogP3.73
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
The IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide (CID 46448670) is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide is CC(C)c1ccc(C(C)NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1.
What is the InChIKey of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
The InChIKey is BBOGHIDPQQUUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15(2)17-9-11-18(12-10-17)16(3)23-21(26)13-14-25-20-8-6-5-7-19(20)24(4)22(25)27/h5-12,15-16H,13-14H2,1-4H3,(H,23,26).
What are the key properties of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide?
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide has a molecular weight of 365.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 46448670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).