3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide

C17H13N3O2 — CID 90105435

IUPAC3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide
SMILESO=Cc1cccc(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)c1
InChIInChI=1S/C17H13N3O2/c21-10-12-2-1-3-14(8-12)17(22)20-15-6-4-13(5-7-15)16-9-18-11-19-16/h1-11H,(H,18,19)(H,20,22)
InChIKeyLNNLRLSCQQIENF-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.14
Rot. Bonds4

About 3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide

3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide (PubChem CID 90105435) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide
PubChem CID90105435
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide
SMILESO=Cc1cccc(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)c1
InChIInChI=1S/C17H13N3O2/c21-10-12-2-1-3-14(8-12)17(22)20-15-6-4-13(5-7-15)16-9-18-11-19-16/h1-11H,(H,18,19)(H,20,22)
InChIKeyLNNLRLSCQQIENF-UHFFFAOYSA-N
XLogP3.14
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-formylbenzoyl)amino]benzoic acid
CID 90105755
6-chloro-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide
CID 62232925
N-[4-(1H-imidazol-5-yl)phenyl]-2-iodobenzamide
CID 60666058
N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbut-2-enamide
CID 47143697
N-[4-(1H-imidazol-5-yl)phenyl]but-2-enamide
CID 78997234
3-bromo-N-[4-(1H-imidazol-5-yl)phenyl]pyridine-2-carboxamide
CID 107518337
N-[4-(1H-imidazol-5-yl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60666303
2-(3-chlorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 110668471
4-chloro-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 55206350
4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 166382068
5-bromo-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylthiophene-2-carboxamide
CID 79954389
N-[3-(1H-imidazol-5-yl)phenyl]-3,5-dimethoxybenzamide
CID 110668555

Frequently Asked Questions

What is the IUPAC name of 3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide (CID 90105435) is 3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide is O=Cc1cccc(C(=O)Nc2ccc(-c3cnc[nH]3)cc2)c1.
What is the InChIKey of 3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide?
The InChIKey is LNNLRLSCQQIENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-10-12-2-1-3-14(8-12)17(22)20-15-6-4-13(5-7-15)16-9-18-11-19-16/h1-11H,(H,18,19)(H,20,22).
What are the key properties of 3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide?
3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide has a molecular weight of 291.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-N-[4-(1H-imidazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 90105435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).