N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide

C25H24FN3O3 — CID 86906316

IUPACN-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCCc2nc3c(F)cccc3n2C)ccc1OCc1ccccc1
InChIInChI=1S/C25H24FN3O3/c1-29-20-10-6-9-19(26)24(20)28-23(29)13-14-27-25(30)18-11-12-21(22(15-18)31-2)32-16-17-7-4-3-5-8-17/h3-12,15H,13-14,16H2,1-2H3,(H,27,30)
InChIKeyRXUWGNOVYQBQNJ-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.27
Rot. Bonds8

About N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide

N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide (PubChem CID 86906316) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
PubChem CID86906316
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC NameN-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCCc2nc3c(F)cccc3n2C)ccc1OCc1ccccc1
InChIInChI=1S/C25H24FN3O3/c1-29-20-10-6-9-19(26)24(20)28-23(29)13-14-27-25(30)18-11-12-21(22(15-18)31-2)32-16-17-7-4-3-5-8-17/h3-12,15H,13-14,16H2,1-2H3,(H,27,30)
InChIKeyRXUWGNOVYQBQNJ-UHFFFAOYSA-N
XLogP4.27
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55975456
3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976863
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
3-methoxy-N-[4-(2-oxo-1-pyridinyl)butyl]-4-phenylmethoxybenzamide
CID 86885388
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
2-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976059
3-methoxy-N-[(E)-pent-3-enyl]-4-phenylmethoxybenzamide
CID 86952806
3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 86953668
3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 4309421
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide (CID 86906316) is N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)NCCc2nc3c(F)cccc3n2C)ccc1OCc1ccccc1.
What is the InChIKey of N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide?
The InChIKey is RXUWGNOVYQBQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-29-20-10-6-9-19(26)24(20)28-23(29)13-14-27-25(30)18-11-12-21(22(15-18)31-2)32-16-17-7-4-3-5-8-17/h3-12,15H,13-14,16H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide?
N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide has a molecular weight of 433.48 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 86906316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).