(Z)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enamide

C18H18N4O — CID 6515964

IUPAC(Z)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enamide
SMILESCN(C)c1ccc(/C=C(\C(N)=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H18N4O/c1-22(2)13-9-7-12(8-10-13)11-14(17(19)23)18-20-15-5-3-4-6-16(15)21-18/h3-11H,1-2H3,(H2,19,23)(H,20,21)/b14-11+
InChIKeyVWCUFWWJVSEPCC-SDNWHVSQSA-N
MW306.37 g/mol
LogP2.65
Rot. Bonds4

About (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enamide

(Z)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enamide (PubChem CID 6515964) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enamide
PubChem CID6515964
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(Z)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enamide
SMILESCN(C)c1ccc(/C=C(\C(N)=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H18N4O/c1-22(2)13-9-7-12(8-10-13)11-14(17(19)23)18-20-15-5-3-4-6-16(15)21-18/h3-11H,1-2H3,(H2,19,23)(H,20,21)/b14-11+
InChIKeyVWCUFWWJVSEPCC-SDNWHVSQSA-N
XLogP2.65
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-3-phenylprop-1-enyl]benzoate
CID 4177278
3-[2-[4-(dimethylamino)phenyl]ethenyl]-1H-quinoxalin-2-one
CID 91083494
(E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enenitrile
CID 139178887
1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one
CID 66673921
methyl 2-(1H-benzimidazol-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate;hydrochloride
CID 91941964
(E)-2-(1H-benzimidazol-2-yl)-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]prop-2-enenitrile
CID 118732156
4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane
CID 90927480
2-[(2Z)-4-chlorohexa-2,4-dien-3-yl]-1H-benzimidazole
CID 123996924
4-[(E)-2-(1H-benzimidazol-2-yl)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]benzonitrile
CID 94364266
1H-benzimidazole-2-carbothioic S-acid
CID 19781386
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
(E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enenitrile;ethanol
CID 139178886

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enamide?
The IUPAC name of (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enamide (CID 6515964) is (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enamide is CN(C)c1ccc(/C=C(\C(N)=O)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enamide?
The InChIKey is VWCUFWWJVSEPCC-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H18N4O/c1-22(2)13-9-7-12(8-10-13)11-14(17(19)23)18-20-15-5-3-4-6-16(15)21-18/h3-11H,1-2H3,(H2,19,23)(H,20,21)/b14-11+.
What are the key properties of (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enamide?
(Z)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enamide has a molecular weight of 306.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 6515964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).