2-(benzimidazol-1-yl)-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)butanamide

C22H25N5O2 — CID 16673634

IUPAC2-(benzimidazol-1-yl)-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)butanamide
SMILESCCC(C(=O)Nc1ccc2c(c1)n(CC)c(=O)n2CC)n1cnc2ccccc21
InChIInChI=1S/C22H25N5O2/c1-4-17(27-14-23-16-9-7-8-10-18(16)27)21(28)24-15-11-12-19-20(13-15)26(6-3)22(29)25(19)5-2/h7-14,17H,4-6H2,1-3H3,(H,24,28)
InChIKeyDBVMKTFYPHPNML-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.78
Rot. Bonds6

About 2-(benzimidazol-1-yl)-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)butanamide

2-(benzimidazol-1-yl)-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)butanamide (PubChem CID 16673634) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)butanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)butanamide
PubChem CID16673634
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-(benzimidazol-1-yl)-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)butanamide
SMILESCCC(C(=O)Nc1ccc2c(c1)n(CC)c(=O)n2CC)n1cnc2ccccc21
InChIInChI=1S/C22H25N5O2/c1-4-17(27-14-23-16-9-7-8-10-18(16)27)21(28)24-15-11-12-19-20(13-15)26(6-3)22(29)25(19)5-2/h7-14,17H,4-6H2,1-3H3,(H,24,28)
InChIKeyDBVMKTFYPHPNML-UHFFFAOYSA-N
XLogP3.78
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(3,4-dichlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7596180
(2S)-N-(4-chlorophenyl)-2-(4-oxoquinazolin-3-yl)butanamide
CID 7633398
(2R)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
CID 7579540
(2S)-2-(4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)butanamide
CID 7579532
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)butanamide
CID 4905863
(2R)-2-(benzimidazol-1-yl)-N-[2-(cyclohexylmethyl)-5-methylpyrazol-3-yl]butanamide
CID 51495887
3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide
CID 42893030
(2S)-2-(benzimidazol-1-yl)-N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 51495819
N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide
CID 71618995
(2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 39036581
(2S)-2-(benzimidazol-1-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 39047094
(2S)-2-(benzimidazol-1-yl)-N-[3-fluoro-4-[(S)-methylsulfinyl]phenyl]propanamide
CID 97249332

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)butanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)butanamide (CID 16673634) is 2-(benzimidazol-1-yl)-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)butanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)butanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)butanamide is CCC(C(=O)Nc1ccc2c(c1)n(CC)c(=O)n2CC)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)butanamide?
The InChIKey is DBVMKTFYPHPNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-4-17(27-14-23-16-9-7-8-10-18(16)27)21(28)24-15-11-12-19-20(13-15)26(6-3)22(29)25(19)5-2/h7-14,17H,4-6H2,1-3H3,(H,24,28).
What are the key properties of 2-(benzimidazol-1-yl)-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)butanamide?
2-(benzimidazol-1-yl)-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)butanamide has a molecular weight of 391.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)butanamide is sourced from PubChem (CID 16673634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).