N-[3-(1H-benzimidazol-2-yl)phenyl]-4-oxochromene-2-carboxamide

C23H15N3O3 — CID 3669660

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-4-oxochromene-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C23H15N3O3/c27-19-13-21(29-20-11-4-1-8-16(19)20)23(28)24-15-7-5-6-14(12-15)22-25-17-9-2-3-10-18(17)26-22/h1-13H,(H,24,28)(H,25,26)
InChIKeyKSHBPHFNLJXJMW-UHFFFAOYSA-N
MW381.39 g/mol
LogP4.59
Rot. Bonds3

About N-[3-(1H-benzimidazol-2-yl)phenyl]-4-oxochromene-2-carboxamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-4-oxochromene-2-carboxamide (PubChem CID 3669660) has the molecular formula C23H15N3O3 and a molecular weight of 381.39 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-oxochromene-2-carboxamide
PubChem CID3669660
Molecular FormulaC23H15N3O3
Molecular Weight381.39 g/mol
Exact Mass381.11
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-oxochromene-2-carboxamide
SMILESO=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C23H15N3O3/c27-19-13-21(29-20-11-4-1-8-16(19)20)23(28)24-15-7-5-6-14(12-15)22-25-17-9-2-3-10-18(17)26-22/h1-13H,(H,24,28)(H,25,26)
InChIKeyKSHBPHFNLJXJMW-UHFFFAOYSA-N
XLogP4.59
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-oxochromene-2-carboxamide (CID 3669660) is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-oxochromene-2-carboxamide is O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-oxochromene-2-carboxamide?
The InChIKey is KSHBPHFNLJXJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O3/c27-19-13-21(29-20-11-4-1-8-16(19)20)23(28)24-15-7-5-6-14(12-15)22-25-17-9-2-3-10-18(17)26-22/h1-13H,(H,24,28)(H,25,26).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-oxochromene-2-carboxamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-oxochromene-2-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 4.59, 3 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-oxochromene-2-carboxamide is sourced from PubChem (CID 3669660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).