N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide

C29H19N3O3 — CID 4655949

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C29H19N3O3/c33-28(30-22-8-5-7-21(16-22)27-31-24-9-2-3-10-25(24)32-27)19-14-12-18(13-15-19)23-17-20-6-1-4-11-26(20)35-29(23)34/h1-17H,(H,30,33)(H,31,32)
InChIKeyOQVSFZKENQFDGR-UHFFFAOYSA-N
MW457.49 g/mol
LogP6.26
Rot. Bonds4

About N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide (PubChem CID 4655949) has the molecular formula C29H19N3O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide
PubChem CID4655949
Molecular FormulaC29H19N3O3
Molecular Weight457.49 g/mol
Exact Mass457.14
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C29H19N3O3/c33-28(30-22-8-5-7-21(16-22)27-31-24-9-2-3-10-25(24)32-27)19-14-12-18(13-15-19)23-17-20-6-1-4-11-26(20)35-29(23)34/h1-17H,(H,30,33)(H,31,32)
InChIKeyOQVSFZKENQFDGR-UHFFFAOYSA-N
XLogP6.26
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.49
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 1108445
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
2-chloro-N-[3-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]benzamide
CID 4572798
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide
CID 3637039
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 1271219
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide
CID 134017494
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide
CID 3706187
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
3-chloro-N-[4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]benzamide
CID 3322024
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 39952263
N-[3-(2-oxochromen-3-yl)phenyl]acetamide
CID 17102592

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide (CID 4655949) is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide is O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide?
The InChIKey is OQVSFZKENQFDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3O3/c33-28(30-22-8-5-7-21(16-22)27-31-24-9-2-3-10-25(24)32-27)19-14-12-18(13-15-19)23-17-20-6-1-4-11-26(20)35-29(23)34/h1-17H,(H,30,33)(H,31,32).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide has a molecular weight of 457.49 g/mol, XLogP of 6.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 4655949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).