N'-(2-cyanoethyl)-N'-phenyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanediamide

C24H25N5O2 — CID 56504550

IUPACN'-(2-cyanoethyl)-N'-phenyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanediamide
SMILESCC(NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C24H25N5O2/c1-18(24-26-17-21(28-24)19-9-4-2-5-10-19)27-22(30)13-14-23(31)29(16-8-15-25)20-11-6-3-7-12-20/h2-7,9-12,17-18H,8,13-14,16H2,1H3,(H,26,28)(H,27,30)
InChIKeyIAWSPEQZADQVES-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.98
Rot. Bonds9

About N'-(2-cyanoethyl)-N'-phenyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanediamide

N'-(2-cyanoethyl)-N'-phenyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanediamide (PubChem CID 56504550) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N'-(2-cyanoethyl)-N'-phenyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanediamide.

Molecular Properties

Compound NameN'-(2-cyanoethyl)-N'-phenyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanediamide
PubChem CID56504550
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN'-(2-cyanoethyl)-N'-phenyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanediamide
SMILESCC(NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C24H25N5O2/c1-18(24-26-17-21(28-24)19-9-4-2-5-10-19)27-22(30)13-14-23(31)29(16-8-15-25)20-11-6-3-7-12-20/h2-7,9-12,17-18H,8,13-14,16H2,1H3,(H,26,28)(H,27,30)
InChIKeyIAWSPEQZADQVES-UHFFFAOYSA-N
XLogP3.98
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-cyanoethyl)-N-(1-cyclopropylethyl)-N'-phenylbutanediamide
CID 56540825
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
CID 52522199
N'-(2-cyanoethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-N'-phenylbutanediamide
CID 56577064
N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-N'-(2-cyanoethyl)-N'-phenylbutanediamide
CID 56506370
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 94798661
(2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
CID 94823273
N-(2-cyanoethyl)-4-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 56574815
methyl 3-(2-chlorophenyl)-3-[[4-[N-(2-cyanoethyl)anilino]-4-oxobutanoyl]amino]propanoate
CID 56515615
1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea
CID 94825570
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 95287151
N'-(2-cyanoethyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-phenylbutanediamide
CID 56577084
N-[2-(4-bromophenyl)-2-methylpropyl]-N'-(2-cyanoethyl)-N'-phenylbutanediamide
CID 56505957

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanoethyl)-N'-phenyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanediamide?
The IUPAC name of N'-(2-cyanoethyl)-N'-phenyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanediamide (CID 56504550) is N'-(2-cyanoethyl)-N'-phenyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanediamide.
What is the SMILES notation for N'-(2-cyanoethyl)-N'-phenyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanediamide?
The canonical SMILES for N'-(2-cyanoethyl)-N'-phenyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanediamide is CC(NC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of N'-(2-cyanoethyl)-N'-phenyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanediamide?
The InChIKey is IAWSPEQZADQVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-18(24-26-17-21(28-24)19-9-4-2-5-10-19)27-22(30)13-14-23(31)29(16-8-15-25)20-11-6-3-7-12-20/h2-7,9-12,17-18H,8,13-14,16H2,1H3,(H,26,28)(H,27,30).
What are the key properties of N'-(2-cyanoethyl)-N'-phenyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanediamide?
N'-(2-cyanoethyl)-N'-phenyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanediamide has a molecular weight of 415.50 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanoethyl)-N'-phenyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]butanediamide is sourced from PubChem (CID 56504550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).