N-(1H-imidazol-5-ylmethyl)-4-oxo-N-[(4-phenylphenyl)methyl]chromene-3-carboxamide

C27H21N3O3 — CID 42786027

IUPACN-(1H-imidazol-5-ylmethyl)-4-oxo-N-[(4-phenylphenyl)methyl]chromene-3-carboxamide
SMILESO=C(c1coc2ccccc2c1=O)N(Cc1ccc(-c2ccccc2)cc1)Cc1cnc[nH]1
InChIInChI=1S/C27H21N3O3/c31-26-23-8-4-5-9-25(23)33-17-24(26)27(32)30(16-22-14-28-18-29-22)15-19-10-12-21(13-11-19)20-6-2-1-3-7-20/h1-14,17-18H,15-16H2,(H,28,29)
InChIKeyJLPDREUJOKRIMI-UHFFFAOYSA-N
MW435.48 g/mol
LogP5.03
Rot. Bonds6

About N-(1H-imidazol-5-ylmethyl)-4-oxo-N-[(4-phenylphenyl)methyl]chromene-3-carboxamide

N-(1H-imidazol-5-ylmethyl)-4-oxo-N-[(4-phenylphenyl)methyl]chromene-3-carboxamide (PubChem CID 42786027) has the molecular formula C27H21N3O3 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-4-oxo-N-[(4-phenylphenyl)methyl]chromene-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-4-oxo-N-[(4-phenylphenyl)methyl]chromene-3-carboxamide
PubChem CID42786027
Molecular FormulaC27H21N3O3
Molecular Weight435.48 g/mol
Exact Mass435.16
IUPAC NameN-(1H-imidazol-5-ylmethyl)-4-oxo-N-[(4-phenylphenyl)methyl]chromene-3-carboxamide
SMILESO=C(c1coc2ccccc2c1=O)N(Cc1ccc(-c2ccccc2)cc1)Cc1cnc[nH]1
InChIInChI=1S/C27H21N3O3/c31-26-23-8-4-5-9-25(23)33-17-24(26)27(32)30(16-22-14-28-18-29-22)15-19-10-12-21(13-11-19)20-6-2-1-3-7-20/h1-14,17-18H,15-16H2,(H,28,29)
InChIKeyJLPDREUJOKRIMI-UHFFFAOYSA-N
XLogP5.03
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-4-oxo-N-[(4-phenylphenyl)methyl]chromene-3-carboxamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-4-oxo-N-[(4-phenylphenyl)methyl]chromene-3-carboxamide (CID 42786027) is N-(1H-imidazol-5-ylmethyl)-4-oxo-N-[(4-phenylphenyl)methyl]chromene-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-4-oxo-N-[(4-phenylphenyl)methyl]chromene-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-4-oxo-N-[(4-phenylphenyl)methyl]chromene-3-carboxamide is O=C(c1coc2ccccc2c1=O)N(Cc1ccc(-c2ccccc2)cc1)Cc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-4-oxo-N-[(4-phenylphenyl)methyl]chromene-3-carboxamide?
The InChIKey is JLPDREUJOKRIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3/c31-26-23-8-4-5-9-25(23)33-17-24(26)27(32)30(16-22-14-28-18-29-22)15-19-10-12-21(13-11-19)20-6-2-1-3-7-20/h1-14,17-18H,15-16H2,(H,28,29).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-4-oxo-N-[(4-phenylphenyl)methyl]chromene-3-carboxamide?
N-(1H-imidazol-5-ylmethyl)-4-oxo-N-[(4-phenylphenyl)methyl]chromene-3-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-4-oxo-N-[(4-phenylphenyl)methyl]chromene-3-carboxamide is sourced from PubChem (CID 42786027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).