N-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-2-hydroxybenzamide

C17H13N3O3 — CID 751752

IUPACN-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-2-hydroxybenzamide
SMILESO=C(/C=C/c1nc2ccccc2[nH]1)NC(=O)c1ccccc1O
InChIInChI=1S/C17H13N3O3/c21-14-8-4-1-5-11(14)17(23)20-16(22)10-9-15-18-12-6-2-3-7-13(12)19-15/h1-10,21H,(H,18,19)(H,20,22,23)/b10-9+
InChIKeySSSBZVUNAJYSBX-MDZDMXLPSA-N
MW307.31 g/mol
LogP2.24
Rot. Bonds3

About N-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-2-hydroxybenzamide

N-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-2-hydroxybenzamide (PubChem CID 751752) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-2-hydroxybenzamide
PubChem CID751752
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC NameN-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-2-hydroxybenzamide
SMILESO=C(/C=C/c1nc2ccccc2[nH]1)NC(=O)c1ccccc1O
InChIInChI=1S/C17H13N3O3/c21-14-8-4-1-5-11(14)17(23)20-16(22)10-9-15-18-12-6-2-3-7-13(12)19-15/h1-10,21H,(H,18,19)(H,20,22,23)/b10-9+
InChIKeySSSBZVUNAJYSBX-MDZDMXLPSA-N
XLogP2.24
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-benzimidazol-2-yl)prop-2-enoic acid
CID 4702151
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[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane
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[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphonic acid
CID 23453413
N-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-2-hydroxybenzamide
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2-[(Z)-prop-1-enyl]-1H-benzimidazole
CID 6166899
3-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-N-hydroxyprop-2-enamide
CID 75030713
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
(E)-N-(1H-benzimidazol-2-ylmethyl)but-2-enamide
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N-(1H-benzimidazol-2-ylmethyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 78910043
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-2-hydroxybenzamide (CID 751752) is N-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-2-hydroxybenzamide is O=C(/C=C/c1nc2ccccc2[nH]1)NC(=O)c1ccccc1O.
What is the InChIKey of N-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-2-hydroxybenzamide?
The InChIKey is SSSBZVUNAJYSBX-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-14-8-4-1-5-11(14)17(23)20-16(22)10-9-15-18-12-6-2-3-7-13(12)19-15/h1-10,21H,(H,18,19)(H,20,22,23)/b10-9+.
What are the key properties of N-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-2-hydroxybenzamide?
N-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-2-hydroxybenzamide has a molecular weight of 307.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(1H-benzimidazol-2-yl)prop-2-enoyl]-2-hydroxybenzamide is sourced from PubChem (CID 751752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).