N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-methyl-4-oxochromene-2-carboxamide

C21H17F2N3O3 — CID 17466752

IUPACN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC(C)c3nc4ccccc4n3C(F)F)cc(=O)c2c1
InChIInChI=1S/C21H17F2N3O3/c1-11-7-8-17-13(9-11)16(27)10-18(29-17)20(28)24-12(2)19-25-14-5-3-4-6-15(14)26(19)21(22)23/h3-10,12,21H,1-2H3,(H,24,28)
InChIKeyHPIIQDWFASUTEO-UHFFFAOYSA-N
MW397.38 g/mol
LogP4.34
Rot. Bonds4

About N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-methyl-4-oxochromene-2-carboxamide

N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-methyl-4-oxochromene-2-carboxamide (PubChem CID 17466752) has the molecular formula C21H17F2N3O3 and a molecular weight of 397.38 g/mol. Its IUPAC name is N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-methyl-4-oxochromene-2-carboxamide
PubChem CID17466752
Molecular FormulaC21H17F2N3O3
Molecular Weight397.38 g/mol
Exact Mass397.12
IUPAC NameN-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC(C)c3nc4ccccc4n3C(F)F)cc(=O)c2c1
InChIInChI=1S/C21H17F2N3O3/c1-11-7-8-17-13(9-11)16(27)10-18(29-17)20(28)24-12(2)19-25-14-5-3-4-6-15(14)26(19)21(22)23/h3-10,12,21H,1-2H3,(H,24,28)
InChIKeyHPIIQDWFASUTEO-UHFFFAOYSA-N
XLogP4.34
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-methyl-4-oxochromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-methyl-4-oxochromene-2-carboxamide (CID 17466752) is N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-methyl-4-oxochromene-2-carboxamide is Cc1ccc2oc(C(=O)NC(C)c3nc4ccccc4n3C(F)F)cc(=O)c2c1.
What is the InChIKey of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-methyl-4-oxochromene-2-carboxamide?
The InChIKey is HPIIQDWFASUTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O3/c1-11-7-8-17-13(9-11)16(27)10-18(29-17)20(28)24-12(2)19-25-14-5-3-4-6-15(14)26(19)21(22)23/h3-10,12,21H,1-2H3,(H,24,28).
What are the key properties of N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-methyl-4-oxochromene-2-carboxamide?
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-methyl-4-oxochromene-2-carboxamide has a molecular weight of 397.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-6-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 17466752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).