N-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

C20H22FN3O2 — CID 18169326

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C20H22FN3O2/c1-3-23(14-15-7-6-8-16(21)13-15)19(25)11-12-24-18-10-5-4-9-17(18)22(2)20(24)26/h4-10,13H,3,11-12,14H2,1-2H3
InChIKeyJVOOGXLMMXQEBX-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.92
Rot. Bonds6

About N-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

N-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 18169326) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID18169326
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C20H22FN3O2/c1-3-23(14-15-7-6-8-16(21)13-15)19(25)11-12-24-18-10-5-4-9-17(18)22(2)20(24)26/h4-10,13H,3,11-12,14H2,1-2H3
InChIKeyJVOOGXLMMXQEBX-UHFFFAOYSA-N
XLogP2.92
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Dihydro-1-(1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridinyl)-2H-benzimidazol-2-one
CID 96482
GNF-Pf-4385
CID 759333
1-Ethyl-2,3-dimethyl-2-phenylbenzimidazole
CID 3124417
N-(2-fluorophenyl)-5-methyl-3-oxo-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
CID 9862629
1-[4-[4-(4-Fluorophenyl)piperazin-1-yl]butyl]-3-propylbenzimidazol-2-one
CID 58511930
1-[4-[4-(4-Fluorophenyl)piperazin-1-yl]butyl]-3-methylbenzimidazol-2-one
CID 59630029
N-(5-fluoro-2-methylphenyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxamide
CID 2814486
(3-benzyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetic acid
CID 6472386
4-fluoro-N-{(2S)-1-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide
CID 145704745
1-(4-fluorobenzyl)-3-(4-fluorophenyl)tetrahydro-2H-imidazol-2-one
CID 4205196
2-(3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-N-(2-methylphenyl)acetamide
CID 664058
Fluorphine
CID 145964378

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (CID 18169326) is N-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is CCN(Cc1cccc(F)c1)C(=O)CCn1c(=O)n(C)c2ccccc21.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is JVOOGXLMMXQEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-3-23(14-15-7-6-8-16(21)13-15)19(25)11-12-24-18-10-5-4-9-17(18)22(2)20(24)26/h4-10,13H,3,11-12,14H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 355.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 18169326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).