N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide

C17H15F2N3O2 — CID 27161540

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15F2N3O2/c18-17(19)24-12-7-5-11(6-8-12)16(23)20-10-9-15-21-13-3-1-2-4-14(13)22-15/h1-8,17H,9-10H2,(H,20,23)(H,21,22)
InChIKeyZXGYMUXVSBNNIR-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.14
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide (PubChem CID 27161540) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide
PubChem CID27161540
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H15F2N3O2/c18-17(19)24-12-7-5-11(6-8-12)16(23)20-10-9-15-21-13-3-1-2-4-14(13)22-15/h1-8,17H,9-10H2,(H,20,23)(H,21,22)
InChIKeyZXGYMUXVSBNNIR-UHFFFAOYSA-N
XLogP3.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide
CID 41478889
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 30209277
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 4825744
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18277864
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide
CID 21008890

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide (CID 27161540) is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide is O=C(NCCc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide?
The InChIKey is ZXGYMUXVSBNNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c18-17(19)24-12-7-5-11(6-8-12)16(23)20-10-9-15-21-13-3-1-2-4-14(13)22-15/h1-8,17H,9-10H2,(H,20,23)(H,21,22).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide has a molecular weight of 331.32 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 27161540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).