N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide

C20H22FN3O — CID 110791794

IUPACN-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide
SMILESCc1nc2cc(CCNC(=O)CCc3cccc(F)c3)ccc2n1C
InChIInChI=1S/C20H22FN3O/c1-14-23-18-13-16(6-8-19(18)24(14)2)10-11-22-20(25)9-7-15-4-3-5-17(21)12-15/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,22,25)
InChIKeyRGRZNSOQOSXIIV-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.31
Rot. Bonds6

About N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide

N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide (PubChem CID 110791794) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide
PubChem CID110791794
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC NameN-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide
SMILESCc1nc2cc(CCNC(=O)CCc3cccc(F)c3)ccc2n1C
InChIInChI=1S/C20H22FN3O/c1-14-23-18-13-16(6-8-19(18)24(14)2)10-11-22-20(25)9-7-15-4-3-5-17(21)12-15/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,22,25)
InChIKeyRGRZNSOQOSXIIV-UHFFFAOYSA-N
XLogP3.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide
CID 115153026
3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 110711966
N-[2-(3-chlorophenyl)ethyl]-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110773172
2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
CID 115171173
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-fluorobenzamide
CID 110785961
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417
N-[2-(3-fluorophenyl)ethyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 41277799
1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea
CID 110776234
3-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]propanoic acid
CID 112519294
3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418848
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110773123
2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol
CID 115216317

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide?
The IUPAC name of N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide (CID 110791794) is N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide?
The canonical SMILES for N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide is Cc1nc2cc(CCNC(=O)CCc3cccc(F)c3)ccc2n1C.
What is the InChIKey of N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide?
The InChIKey is RGRZNSOQOSXIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-14-23-18-13-16(6-8-19(18)24(14)2)10-11-22-20(25)9-7-15-4-3-5-17(21)12-15/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide?
N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide has a molecular weight of 339.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 110791794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).