2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide

C22H17F2N3O2 — CID 56553741

IUPAC2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)cc1
InChIInChI=1S/C22H17F2N3O2/c1-13-6-9-15(10-7-13)29-19-5-3-2-4-17(19)27-22(28)14-8-11-16-18(12-14)26-21(25-16)20(23)24/h2-12,20H,1H3,(H,25,26)(H,27,28)
InChIKeyGIXSANQGSQTDOQ-UHFFFAOYSA-N
MW393.39 g/mol
LogP5.85
Rot. Bonds5

About 2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide

2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 56553741) has the molecular formula C22H17F2N3O2 and a molecular weight of 393.39 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID56553741
Molecular FormulaC22H17F2N3O2
Molecular Weight393.39 g/mol
Exact Mass393.13
IUPAC Name2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)cc1
InChIInChI=1S/C22H17F2N3O2/c1-13-6-9-15(10-7-13)29-19-5-3-2-4-17(19)27-22(28)14-8-11-16-18(12-14)26-21(25-16)20(23)24/h2-12,20H,1H3,(H,25,26)(H,27,28)
InChIKeyGIXSANQGSQTDOQ-UHFFFAOYSA-N
XLogP5.85
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.39
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 7925660
2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide
CID 60565493
2-(difluoromethyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 56563980
N-[2-(4-methylphenoxy)phenyl]pyridine-3-carboxamide
CID 38504749
2-(difluoromethyl)-N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 56561232
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
2-(difluoromethyl)-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 56563791
2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 56563825
N-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 27669702
6-methyl-N-[2-(4-methylphenoxy)phenyl]pyridine-2-carboxamide
CID 38507776
2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate
CID 56561529
N-(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide
CID 56564014

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide (CID 56553741) is 2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide is Cc1ccc(Oc2ccccc2NC(=O)c2ccc3nc(C(F)F)[nH]c3c2)cc1.
What is the InChIKey of 2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is GIXSANQGSQTDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2/c1-13-6-9-15(10-7-13)29-19-5-3-2-4-17(19)27-22(28)14-8-11-16-18(12-14)26-21(25-16)20(23)24/h2-12,20H,1H3,(H,25,26)(H,27,28).
What are the key properties of 2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 393.39 g/mol, XLogP of 5.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 56553741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).