4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

C22H23N5O3 — CID 55867468

IUPAC4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESCC(NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C22H23N5O3/c1-14(16-7-8-18-19(13-16)25-22(30)24-18)23-20(28)9-10-21(29)27-12-11-17(26-27)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,23,28)(H2,24,25,30)
InChIKeyLVAXEDVMKKMQNA-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.45
Rot. Bonds6

About 4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (PubChem CID 55867468) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.

Molecular Properties

Compound Name4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
PubChem CID55867468
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
SMILESCC(NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C22H23N5O3/c1-14(16-7-8-18-19(13-16)25-22(30)24-18)23-20(28)9-10-21(29)27-12-11-17(26-27)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,23,28)(H2,24,25,30)
InChIKeyLVAXEDVMKKMQNA-UHFFFAOYSA-N
XLogP2.45
TPSA110.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 51164409
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 25388353
N-(5-methylhexan-2-yl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 134035790
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 55866691
3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide
CID 126458708
N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 32906651
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 55736076
N-(4-anilinophenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18292961
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55912812
N-cyclohexyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 18108648
N-[2-(diethylamino)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55346332
N-[(1S,2R)-2-ethylcyclopropyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 95628026

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The IUPAC name of 4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide (CID 55867468) is 4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide.
What is the SMILES notation for 4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The canonical SMILES for 4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is CC(NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
The InChIKey is LVAXEDVMKKMQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-14(16-7-8-18-19(13-16)25-22(30)24-18)23-20(28)9-10-21(29)27-12-11-17(26-27)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,23,28)(H2,24,25,30).
What are the key properties of 4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide?
4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide has a molecular weight of 405.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide is sourced from PubChem (CID 55867468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).