(Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide

C19H19N3O — CID 60553883

IUPAC(Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C19H19N3O/c1-3-6-14(2)19(23)21-15-9-11-16(12-10-15)22-13-20-17-7-4-5-8-18(17)22/h4-13H,3H2,1-2H3,(H,21,23)/b14-6-
InChIKeyAVBDLUGSTXGTFT-NSIKDUERSA-N
MW305.38 g/mol
LogP4.32
Rot. Bonds4

About (Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide

(Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide (PubChem CID 60553883) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is (Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide
PubChem CID60553883
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name(Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide
SMILESCC/C=C(/C)C(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C19H19N3O/c1-3-6-14(2)19(23)21-15-9-11-16(12-10-15)22-13-20-17-7-4-5-8-18(17)22/h4-13H,3H2,1-2H3,(H,21,23)/b14-6-
InChIKeyAVBDLUGSTXGTFT-NSIKDUERSA-N
XLogP4.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.32
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

N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55948136
N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
CID 46688452
N-[4-(benzimidazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 41491570
N-[4-(benzimidazol-1-yl)phenyl]-2-methoxybenzamide
CID 46692672
(2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide
CID 75413355
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78840226
4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide
CID 119834374
7-amino-N-[4-(benzimidazol-1-yl)phenyl]heptanamide;dihydrochloride
CID 119834351
3-[4-(benzimidazol-1-yl)phenyl]-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-methylurea
CID 125174000
3-[4-(benzimidazol-1-yl)phenyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylurea
CID 125174001

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide?
The IUPAC name of (Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide (CID 60553883) is (Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide?
The canonical SMILES for (Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide is CC/C=C(/C)C(=O)Nc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of (Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide?
The InChIKey is AVBDLUGSTXGTFT-NSIKDUERSA-N. The full InChI is InChI=1S/C19H19N3O/c1-3-6-14(2)19(23)21-15-9-11-16(12-10-15)22-13-20-17-7-4-5-8-18(17)22/h4-13H,3H2,1-2H3,(H,21,23)/b14-6-.
What are the key properties of (Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide?
(Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide has a molecular weight of 305.38 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide is sourced from PubChem (CID 60553883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).