N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide

C26H25F2N3O3 — CID 42928501

IUPACN-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCC(C)c2nc3ccccc3n2C(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C26H25F2N3O3/c1-17(24-30-20-10-6-7-11-21(20)31(24)26(27)28)15-29-25(32)19-12-13-22(23(14-19)33-2)34-16-18-8-4-3-5-9-18/h3-14,17,26H,15-16H2,1-2H3,(H,29,32)
InChIKeyTUPOZMFDYJSQDS-UHFFFAOYSA-N
MW465.50 g/mol
LogP5.55
Rot. Bonds9

About N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide

N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide (PubChem CID 42928501) has the molecular formula C26H25F2N3O3 and a molecular weight of 465.50 g/mol. Its IUPAC name is N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide
PubChem CID42928501
Molecular FormulaC26H25F2N3O3
Molecular Weight465.50 g/mol
Exact Mass465.19
IUPAC NameN-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCC(C)c2nc3ccccc3n2C(F)F)ccc1OCc1ccccc1
InChIInChI=1S/C26H25F2N3O3/c1-17(24-30-20-10-6-7-11-21(20)31(24)26(27)28)15-29-25(32)19-12-13-22(23(14-19)33-2)34-16-18-8-4-3-5-9-18/h3-14,17,26H,15-16H2,1-2H3,(H,29,32)
InChIKeyTUPOZMFDYJSQDS-UHFFFAOYSA-N
XLogP5.55
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.50
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42928503
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 42928507
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-4-[2-(methanesulfonamido)ethyl]benzamide
CID 17481526
N-[(2R)-2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-phenylfuran-2-carboxamide
CID 51931515
5-acetamido-N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 42928516
N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 86906316
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide
CID 17008517
3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009968
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55975456
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 8750850

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide (CID 42928501) is N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)NCC(C)c2nc3ccccc3n2C(F)F)ccc1OCc1ccccc1.
What is the InChIKey of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide?
The InChIKey is TUPOZMFDYJSQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O3/c1-17(24-30-20-10-6-7-11-21(20)31(24)26(27)28)15-29-25(32)19-12-13-22(23(14-19)33-2)34-16-18-8-4-3-5-9-18/h3-14,17,26H,15-16H2,1-2H3,(H,29,32).
What are the key properties of N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide?
N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide has a molecular weight of 465.50 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(difluoromethyl)benzimidazol-2-yl]propyl]-3-methoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 42928501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).