N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide

C20H16ClN3O2 — CID 134130941

IUPACN-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide
SMILESO=C(NCc1ncc(-c2ccc(Cl)cc2)[nH]1)C1=Cc2ccccc2OC1
InChIInChI=1S/C20H16ClN3O2/c21-16-7-5-13(6-8-16)17-10-22-19(24-17)11-23-20(25)15-9-14-3-1-2-4-18(14)26-12-15/h1-10H,11-12H2,(H,22,24)(H,23,25)
InChIKeyVMBLIFIJRCJLIG-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.82
Rot. Bonds4

About N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide

N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide (PubChem CID 134130941) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide
PubChem CID134130941
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC NameN-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide
SMILESO=C(NCc1ncc(-c2ccc(Cl)cc2)[nH]1)C1=Cc2ccccc2OC1
InChIInChI=1S/C20H16ClN3O2/c21-16-7-5-13(6-8-16)17-10-22-19(24-17)11-23-20(25)15-9-14-3-1-2-4-18(14)26-12-15/h1-10H,11-12H2,(H,22,24)(H,23,25)
InChIKeyVMBLIFIJRCJLIG-UHFFFAOYSA-N
XLogP3.82
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide (CID 134130941) is N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide is O=C(NCc1ncc(-c2ccc(Cl)cc2)[nH]1)C1=Cc2ccccc2OC1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide?
The InChIKey is VMBLIFIJRCJLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c21-16-7-5-13(6-8-16)17-10-22-19(24-17)11-23-20(25)15-9-14-3-1-2-4-18(14)26-12-15/h1-10H,11-12H2,(H,22,24)(H,23,25).
What are the key properties of N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide?
N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]methyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 134130941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).