2-(1H-benzimidazol-2-yl)-N'-(3-oxo-1-phenylbut-1-enyl)acetohydrazide;hydrochloride

C19H19ClN4O2 — CID 173339592

IUPAC2-(1H-benzimidazol-2-yl)-N'-(3-oxo-1-phenylbut-1-enyl)acetohydrazide;hydrochloride
SMILESCC(=O)C=C(NNC(=O)Cc1nc2ccccc2[nH]1)c1ccccc1.Cl
InChIInChI=1S/C19H18N4O2.ClH/c1-13(24)11-17(14-7-3-2-4-8-14)22-23-19(25)12-18-20-15-9-5-6-10-16(15)21-18;/h2-11,22H,12H2,1H3,(H,20,21)(H,23,25);1H
InChIKeyVQENCYCXQXSFMX-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.78
Rot. Bonds6

About 2-(1H-benzimidazol-2-yl)-N'-(3-oxo-1-phenylbut-1-enyl)acetohydrazide;hydrochloride

2-(1H-benzimidazol-2-yl)-N'-(3-oxo-1-phenylbut-1-enyl)acetohydrazide;hydrochloride (PubChem CID 173339592) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N'-(3-oxo-1-phenylbut-1-enyl)acetohydrazide;hydrochloride.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N'-(3-oxo-1-phenylbut-1-enyl)acetohydrazide;hydrochloride
PubChem CID173339592
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name2-(1H-benzimidazol-2-yl)-N'-(3-oxo-1-phenylbut-1-enyl)acetohydrazide;hydrochloride
SMILESCC(=O)C=C(NNC(=O)Cc1nc2ccccc2[nH]1)c1ccccc1.Cl
InChIInChI=1S/C19H18N4O2.ClH/c1-13(24)11-17(14-7-3-2-4-8-14)22-23-19(25)12-18-20-15-9-5-6-10-16(15)21-18;/h2-11,22H,12H2,1H3,(H,20,21)(H,23,25);1H
InChIKeyVQENCYCXQXSFMX-UHFFFAOYSA-N
XLogP2.78
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-benzimidazol-2-yl)acetate
CID 6955878
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CID 25344926
2-(1H-benzimidazol-2-yl)-N-butylacetamide
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1-[[2-(1H-benzimidazol-2-yl)acetyl]amino]-3-(3-methylphenyl)thiourea
CID 3061161
[[2-(1H-benzimidazol-2-yl)acetyl]amino]methylphosphonic acid
CID 139908110
2-(1H-benzimidazol-2-yl)-N-pentylacetamide
CID 67833301
2-(1H-benzimidazol-2-yl)-N-[(2,3,4-trihydroxyphenyl)methylideneamino]acetamide;hydrochloride
CID 141213994
2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 2393619
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
3-[[3-[[2-(1H-benzimidazol-2-yl)acetyl]amino]benzoyl]amino]propanoic acid
CID 70347028
2-(1H-benzimidazol-2-ylmethylamino)acetic acid
CID 1081236

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N'-(3-oxo-1-phenylbut-1-enyl)acetohydrazide;hydrochloride?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N'-(3-oxo-1-phenylbut-1-enyl)acetohydrazide;hydrochloride (CID 173339592) is 2-(1H-benzimidazol-2-yl)-N'-(3-oxo-1-phenylbut-1-enyl)acetohydrazide;hydrochloride.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N'-(3-oxo-1-phenylbut-1-enyl)acetohydrazide;hydrochloride?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N'-(3-oxo-1-phenylbut-1-enyl)acetohydrazide;hydrochloride is CC(=O)C=C(NNC(=O)Cc1nc2ccccc2[nH]1)c1ccccc1.Cl.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N'-(3-oxo-1-phenylbut-1-enyl)acetohydrazide;hydrochloride?
The InChIKey is VQENCYCXQXSFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2.ClH/c1-13(24)11-17(14-7-3-2-4-8-14)22-23-19(25)12-18-20-15-9-5-6-10-16(15)21-18;/h2-11,22H,12H2,1H3,(H,20,21)(H,23,25);1H.
What are the key properties of 2-(1H-benzimidazol-2-yl)-N'-(3-oxo-1-phenylbut-1-enyl)acetohydrazide;hydrochloride?
2-(1H-benzimidazol-2-yl)-N'-(3-oxo-1-phenylbut-1-enyl)acetohydrazide;hydrochloride has a molecular weight of 370.84 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N'-(3-oxo-1-phenylbut-1-enyl)acetohydrazide;hydrochloride is sourced from PubChem (CID 173339592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).