N-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide

C17H13Cl2F2N3O — CID 56539158

IUPACN-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCc1cc(Cl)cc(Cl)c1)c1ccc2nc(C(F)F)[nH]c2c1
InChIInChI=1S/C17H13Cl2F2N3O/c18-11-5-9(6-12(19)8-11)3-4-22-17(25)10-1-2-13-14(7-10)24-16(23-13)15(20)21/h1-2,5-8,15H,3-4H2,(H,22,25)(H,23,24)
InChIKeyMDLMRFMUFQASNS-UHFFFAOYSA-N
MW384.21 g/mol
LogP4.78
Rot. Bonds5

About N-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide

N-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 56539158) has the molecular formula C17H13Cl2F2N3O and a molecular weight of 384.21 g/mol. Its IUPAC name is N-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide
PubChem CID56539158
Molecular FormulaC17H13Cl2F2N3O
Molecular Weight384.21 g/mol
Exact Mass383.04
IUPAC NameN-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCc1cc(Cl)cc(Cl)c1)c1ccc2nc(C(F)F)[nH]c2c1
InChIInChI=1S/C17H13Cl2F2N3O/c18-11-5-9(6-12(19)8-11)3-4-22-17(25)10-1-2-13-14(7-10)24-16(23-13)15(20)21/h1-2,5-8,15H,3-4H2,(H,22,25)(H,23,24)
InChIKeyMDLMRFMUFQASNS-UHFFFAOYSA-N
XLogP4.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.21
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]propanoic acid
CID 167851863
2-(difluoromethyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 56561065
4-[[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]methyl]benzoic acid
CID 154862991
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692472
2-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 66965180
2-(difluoromethyl)-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 56561104
2-(difluoromethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 56561316
2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 66965604
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2-(difluoromethyl)-N-ethyl-3H-benzimidazole-5-carboxamide
CID 166197234
2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 138998345
2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 56563825
2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate
CID 56561529

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide (CID 56539158) is N-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide is O=C(NCCc1cc(Cl)cc(Cl)c1)c1ccc2nc(C(F)F)[nH]c2c1.
What is the InChIKey of N-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is MDLMRFMUFQASNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F2N3O/c18-11-5-9(6-12(19)8-11)3-4-22-17(25)10-1-2-13-14(7-10)24-16(23-13)15(20)21/h1-2,5-8,15H,3-4H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide?
N-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 384.21 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichlorophenyl)ethyl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 56539158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).