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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Related Compounds

4-oxo-N-[(2-phenylphenyl)methyl]-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
CID 42786030
N,N-bis(pyridin-3-ylmethyl)-1-benzofuran-3-carboxamide
CID 77094774
N,N-dibenzyl-1H-imidazole-5-carboxamide
CID 141124431
N-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide
CID 42778105
2-fluoro-N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide
CID 3911787
N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110851137
3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenylphenyl)phenyl]butan-2-one
CID 70890206
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
benzyl N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-[[2-oxo-2-(2-phenylmethoxyethylamino)ethyl]-[(4-phenylphenyl)methyl]amino]propan-2-yl]carbamate
CID 70153695
2-[1-benzofuran-3-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802927
3-butyl-1-[(4-fluorophenyl)methyl]-1-[(4-oxochromen-3-yl)methyl]urea
CID 42783939
N-benzyl-2-methyl-N-[(6-methyl-4-oxochromen-3-yl)methyl]benzamide
CID 42785956

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).