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

C22H25N3O — CID 18888803

IUPAC(E)-N-[2-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESCCCCn1c(CCNC(=O)/C=C/c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H25N3O/c1-2-3-17-25-20-12-8-7-11-19(20)24-21(25)15-16-23-22(26)14-13-18-9-5-4-6-10-18/h4-14H,2-3,15-17H2,1H3,(H,23,26)/b14-13+
InChIKeyNVWQWOZNACCEFU-BUHFOSPRSA-N
MW347.46 g/mol
LogP4.21
Rot. Bonds8

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

(E)-N-[2-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 18888803) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (E)-N-[2-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID18888803
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(E)-N-[2-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
SMILESCCCCn1c(CCNC(=O)/C=C/c2ccccc2)nc2ccccc21
InChIInChI=1S/C22H25N3O/c1-2-3-17-25-20-12-8-7-11-19(20)24-21(25)15-16-23-22(26)14-13-18-9-5-4-6-10-18/h4-14H,2-3,15-17H2,1H3,(H,23,26)/b14-13+
InChIKeyNVWQWOZNACCEFU-BUHFOSPRSA-N
XLogP4.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.21
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

(E)-3-phenyl-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 18889083
(E)-N-[2-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 18888810
N-[2-(1-butylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980207
(E)-N-[2-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 18889339
(E)-N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
CID 18888843
(E)-N-[2-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 18889333
(E)-N-[3-[1-(3-methylbutyl)benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 18889027
(E)-N-[2-[1-[4-(2-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 18889329
(E)-N-[2-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-phenylprop-2-enamide
CID 16978402
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980216
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 16980217
(E)-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]-3-phenylprop-2-enamide
CID 18888926

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide (CID 18888803) is (E)-N-[2-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide is CCCCn1c(CCNC(=O)/C=C/c2ccccc2)nc2ccccc21.
What is the InChIKey of (E)-N-[2-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is NVWQWOZNACCEFU-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H25N3O/c1-2-3-17-25-20-12-8-7-11-19(20)24-21(25)15-16-23-22(26)14-13-18-9-5-4-6-10-18/h4-14H,2-3,15-17H2,1H3,(H,23,26)/b14-13+.
What are the key properties of (E)-N-[2-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 347.46 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1-butylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 18888803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).