(E)-N-(benzimidazol-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

C19H15N5O — CID 34335213

IUPAC(E)-N-(benzimidazol-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)Nn1cnc2ccccc21
InChIInChI=1S/C19H15N5O/c25-19(22-24-14-20-17-8-4-5-9-18(17)24)11-10-15-12-21-23(13-15)16-6-2-1-3-7-16/h1-14H,(H,22,25)/b11-10+
InChIKeyGFLJBTRBHADIDT-ZHACJKMWSA-N
MW329.36 g/mol
LogP3.01
Rot. Bonds4

About (E)-N-(benzimidazol-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

(E)-N-(benzimidazol-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide (PubChem CID 34335213) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is (E)-N-(benzimidazol-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(benzimidazol-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
PubChem CID34335213
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name(E)-N-(benzimidazol-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)Nn1cnc2ccccc21
InChIInChI=1S/C19H15N5O/c25-19(22-24-14-20-17-8-4-5-9-18(17)24)11-10-15-12-21-23(13-15)16-6-2-1-3-7-16/h1-14H,(H,22,25)/b11-10+
InChIKeyGFLJBTRBHADIDT-ZHACJKMWSA-N
XLogP3.01
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 34329231
(E)-N-(benzimidazol-1-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 34326933
(Z)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 170877893
3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 169482421
(E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide
CID 37217328
(E)-N-(benzimidazol-1-yl)-3-naphthalen-1-ylprop-2-enamide
CID 24669674
(E)-N-(benzimidazol-1-yl)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 34332967
(E)-N-butyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 47118618
(E)-N-(benzimidazol-1-yl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 34333135
(E)-1-(4-bromophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 9026830
(E)-N-(benzimidazol-1-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 34332718
4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
CID 8870842

Frequently Asked Questions

What is the IUPAC name of (E)-N-(benzimidazol-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(benzimidazol-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide (CID 34335213) is (E)-N-(benzimidazol-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(benzimidazol-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(benzimidazol-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide is O=C(/C=C/c1cnn(-c2ccccc2)c1)Nn1cnc2ccccc21.
What is the InChIKey of (E)-N-(benzimidazol-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is GFLJBTRBHADIDT-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H15N5O/c25-19(22-24-14-20-17-8-4-5-9-18(17)24)11-10-15-12-21-23(13-15)16-6-2-1-3-7-16/h1-14H,(H,22,25)/b11-10+.
What are the key properties of (E)-N-(benzimidazol-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
(E)-N-(benzimidazol-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 329.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(benzimidazol-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 34335213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).