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

C19H20FN3O — CID 110711966

IUPAC3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide
SMILESCn1c(CCNC(=O)CCc2cccc(F)c2)nc2ccccc21
InChIInChI=1S/C19H20FN3O/c1-23-17-8-3-2-7-16(17)22-18(23)11-12-21-19(24)10-9-14-5-4-6-15(20)13-14/h2-8,13H,9-12H2,1H3,(H,21,24)
InChIKeyVSXGJDXAIQFPND-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.00
Rot. Bonds6

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

3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide (PubChem CID 110711966) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide
PubChem CID110711966
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide
SMILESCn1c(CCNC(=O)CCc2cccc(F)c2)nc2ccccc21
InChIInChI=1S/C19H20FN3O/c1-23-17-8-3-2-7-16(17)22-18(23)11-12-21-19(24)10-9-14-5-4-6-15(20)13-14/h2-8,13H,9-12H2,1H3,(H,21,24)
InChIKeyVSXGJDXAIQFPND-UHFFFAOYSA-N
XLogP3.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110791794
2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide
CID 110712309
3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119883587
N-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
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3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16978263
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide
CID 110711950
(3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide
CID 95324241
4-[3-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-oxopropyl]benzoic acid
CID 119185805
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675649
3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418848
N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
CID 56792616

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide (CID 110711966) is 3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide is Cn1c(CCNC(=O)CCc2cccc(F)c2)nc2ccccc21.
What is the InChIKey of 3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide?
The InChIKey is VSXGJDXAIQFPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-23-17-8-3-2-7-16(17)22-18(23)11-12-21-19(24)10-9-14-5-4-6-15(20)13-14/h2-8,13H,9-12H2,1H3,(H,21,24).
What are the key properties of 3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide?
3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide has a molecular weight of 325.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 110711966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).