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

C21H25N3O2 — CID 16592019

IUPACN-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCC(C)c1ccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-4-15(2)16-9-11-17(12-10-16)22-20(25)13-14-24-19-8-6-5-7-18(19)23(3)21(24)26/h5-12,15H,4,13-14H2,1-3H3,(H,22,25)
InChIKeyFRMRPASBHIEVKH-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.88
Rot. Bonds6

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

N-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 16592019) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID16592019
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCC(C)c1ccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-4-15(2)16-9-11-17(12-10-16)22-20(25)13-14-24-19-8-6-5-7-18(19)23(3)21(24)26/h5-12,15H,4,13-14H2,1-3H3,(H,22,25)
InChIKeyFRMRPASBHIEVKH-UHFFFAOYSA-N
XLogP3.88
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
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3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-nitrophenyl)propanamide
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N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
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CID 33154220
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propan-2-ylphenyl)propanamide
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3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 46448670
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-3-ylpropanamide
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4-benzamido-N-(4-butan-2-ylphenyl)benzamide
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3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 16598987
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 46512407
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (CID 16592019) is N-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is CCC(C)c1ccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is FRMRPASBHIEVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-15(2)16-9-11-17(12-10-16)22-20(25)13-14-24-19-8-6-5-7-18(19)23(3)21(24)26/h5-12,15H,4,13-14H2,1-3H3,(H,22,25).
What are the key properties of N-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
N-(4-butan-2-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.88, 6 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-methyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 16592019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).