4-[3-(1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzamide

C24H19N3O3 — CID 174993787

IUPAC4-[3-(1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(C=CC(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H19N3O3/c1-30-22-9-5-4-8-20(22)27-24(29)17-13-10-16(11-14-17)12-15-21(28)23-25-18-6-2-3-7-19(18)26-23/h2-15H,1H3,(H,25,26)(H,27,29)
InChIKeyANMLSSUTGJASLK-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.72
Rot. Bonds6

About 4-[3-(1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzamide

4-[3-(1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzamide (PubChem CID 174993787) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-[3-(1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[3-(1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzamide
PubChem CID174993787
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name4-[3-(1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(C=CC(=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H19N3O3/c1-30-22-9-5-4-8-20(22)27-24(29)17-13-10-16(11-14-17)12-15-21(28)23-25-18-6-2-3-7-19(18)26-23/h2-15H,1H3,(H,25,26)(H,27,29)
InChIKeyANMLSSUTGJASLK-UHFFFAOYSA-N
XLogP4.72
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 51059619
(E)-1-(1H-benzimidazol-2-yl)-3-(3,4-dichlorophenyl)prop-2-en-1-one
CID 10591544
N-(furan-2-yl)-4-[3-(6-methyl-1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]benzamide
CID 156700159
N-(2-methoxyphenyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 137108213
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide
CID 100578035
N-(2-methoxyphenyl)-4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 9244896
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide
CID 17093013
N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide
CID 5334230
4-[(E)-3-[2-(1H-benzimidazol-2-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134002526
N-(2-methoxyphenyl)-4-sulfanylbenzamide
CID 107019826
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzamide (CID 174993787) is 4-[3-(1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[3-(1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[3-(1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(C=CC(=O)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-[3-(1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzamide?
The InChIKey is ANMLSSUTGJASLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-30-22-9-5-4-8-20(22)27-24(29)17-13-10-16(11-14-17)12-15-21(28)23-25-18-6-2-3-7-19(18)26-23/h2-15H,1H3,(H,25,26)(H,27,29).
What are the key properties of 4-[3-(1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzamide?
4-[3-(1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzamide has a molecular weight of 397.43 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 174993787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).