(Z)-N-[1-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide

C22H25N3O — CID 16970269

IUPAC(Z)-N-[1-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESCCCCn1c(C(C)NC(=O)/C=C\c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H25N3O/c1-3-4-16-25-20-13-9-8-12-19(20)24-22(25)17(2)23-21(26)15-14-18-10-6-5-7-11-18/h5-15,17H,3-4,16H2,1-2H3,(H,23,26)/b15-14-
InChIKeyZYHDTVGYRZYAPO-PFONDFGASA-N
MW347.46 g/mol
LogP4.73
Rot. Bonds7

About (Z)-N-[1-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide

(Z)-N-[1-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 16970269) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (Z)-N-[1-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID16970269
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(Z)-N-[1-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESCCCCn1c(C(C)NC(=O)/C=C\c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H25N3O/c1-3-4-16-25-20-13-9-8-12-19(20)24-22(25)17(2)23-21(26)15-14-18-10-6-5-7-11-18/h5-15,17H,3-4,16H2,1-2H3,(H,23,26)/b15-14-
InChIKeyZYHDTVGYRZYAPO-PFONDFGASA-N
XLogP4.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
CID 16970279
(Z)-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16970375
(Z)-N-[1-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16970378
(Z)-3-phenyl-N-[1-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16970387
(Z)-N-[1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16970360
(Z)-N-[1-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16970339
propan-2-yl 2-[2-[1-[[(Z)-3-phenylprop-2-enoyl]amino]ethyl]benzimidazol-1-yl]acetate
CID 16970414
(Z)-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16970291
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
(E)-N-[2-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
CID 18888803
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (Z)-N-[1-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide (CID 16970269) is (Z)-N-[1-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-N-[1-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-N-[1-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide is CCCCn1c(C(C)NC(=O)/C=C\c2ccccc2)nc2ccccc21.
What is the InChIKey of (Z)-N-[1-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is ZYHDTVGYRZYAPO-PFONDFGASA-N. The full InChI is InChI=1S/C22H25N3O/c1-3-4-16-25-20-13-9-8-12-19(20)24-22(25)17(2)23-21(26)15-14-18-10-6-5-7-11-18/h5-15,17H,3-4,16H2,1-2H3,(H,23,26)/b15-14-.
What are the key properties of (Z)-N-[1-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide?
(Z)-N-[1-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 347.46 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 16970269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).