2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide

C20H18F2N6O2 — CID 56561244

IUPAC2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide
SMILESCC(C)C(NC(=O)c1ccc2nc(C(F)F)[nH]c2c1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C20H18F2N6O2/c1-10(2)15(20-27-17(28-30-20)11-5-7-23-8-6-11)26-19(29)12-3-4-13-14(9-12)25-18(24-13)16(21)22/h3-10,15-16H,1-2H3,(H,24,25)(H,26,29)
InChIKeySJKXLNBOXQPEGA-UHFFFAOYSA-N
MW412.40 g/mol
LogP4.07
Rot. Bonds6

About 2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide

2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide (PubChem CID 56561244) has the molecular formula C20H18F2N6O2 and a molecular weight of 412.40 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide
PubChem CID56561244
Molecular FormulaC20H18F2N6O2
Molecular Weight412.40 g/mol
Exact Mass412.15
IUPAC Name2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide
SMILESCC(C)C(NC(=O)c1ccc2nc(C(F)F)[nH]c2c1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C20H18F2N6O2/c1-10(2)15(20-27-17(28-30-20)11-5-7-23-8-6-11)26-19(29)12-3-4-13-14(9-12)25-18(24-13)16(21)22/h3-10,15-16H,1-2H3,(H,24,25)(H,26,29)
InChIKeySJKXLNBOXQPEGA-UHFFFAOYSA-N
XLogP4.07
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-4-(trifluoromethoxy)benzamide
CID 51133659
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]pyridine-4-carboxamide
CID 95192585
2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 56563825
2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 56561316
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 83279748
3-amino-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]butanamide;dihydrochloride
CID 119871681
3,4-dichloro-N-[(1R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
CID 124848916
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685984
2-(difluoromethyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 56561081
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide
CID 25211295
1-[(2-fluorophenyl)methyl]-3-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 51134100

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide (CID 56561244) is 2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide is CC(C)C(NC(=O)c1ccc2nc(C(F)F)[nH]c2c1)c1nc(-c2ccncc2)no1.
What is the InChIKey of 2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is SJKXLNBOXQPEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O2/c1-10(2)15(20-27-17(28-30-20)11-5-7-23-8-6-11)26-19(29)12-3-4-13-14(9-12)25-18(24-13)16(21)22/h3-10,15-16H,1-2H3,(H,24,25)(H,26,29).
What are the key properties of 2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide?
2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 412.40 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[2-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 56561244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).