N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide

C22H27N3O2 — CID 16574720

IUPACN-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCC(C)c1ccc(NC(=O)CCn2c(=O)n(CC)c3ccccc32)cc1
InChIInChI=1S/C22H27N3O2/c1-4-16(3)17-10-12-18(13-11-17)23-21(26)14-15-25-20-9-7-6-8-19(20)24(5-2)22(25)27/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26)
InChIKeyQOXCWRSSTSTSMV-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.37
Rot. Bonds7

About N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide

N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 16574720) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID16574720
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCC(C)c1ccc(NC(=O)CCn2c(=O)n(CC)c3ccccc32)cc1
InChIInChI=1S/C22H27N3O2/c1-4-16(3)17-10-12-18(13-11-17)23-21(26)14-15-25-20-9-7-6-8-19(20)24(5-2)22(25)27/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26)
InChIKeyQOXCWRSSTSTSMV-UHFFFAOYSA-N
XLogP4.37
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide
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3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide
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3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
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3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
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N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
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3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide
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3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
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3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide (CID 16574720) is N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide is CCC(C)c1ccc(NC(=O)CCn2c(=O)n(CC)c3ccccc32)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is QOXCWRSSTSTSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-16(3)17-10-12-18(13-11-17)23-21(26)14-15-25-20-9-7-6-8-19(20)24(5-2)22(25)27/h6-13,16H,4-5,14-15H2,1-3H3,(H,23,26).
What are the key properties of N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide?
N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 365.48 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 16574720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).