(3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide

C20H22FN3O — CID 95324241

IUPAC(3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide
SMILESC[C@H](CC(=O)NCCc1nc2ccccc2n1C)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O/c1-14(15-7-9-16(21)10-8-15)13-20(25)22-12-11-19-23-17-5-3-4-6-18(17)24(19)2/h3-10,14H,11-13H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyBIJAZSLUPZIUQO-CQSZACIVSA-N
MW339.41 g/mol
LogP3.56
Rot. Bonds6

About (3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide

(3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide (PubChem CID 95324241) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide
PubChem CID95324241
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name(3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide
SMILESC[C@H](CC(=O)NCCc1nc2ccccc2n1C)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O/c1-14(15-7-9-16(21)10-8-15)13-20(25)22-12-11-19-23-17-5-3-4-6-18(17)24(19)2/h3-10,14H,11-13H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyBIJAZSLUPZIUQO-CQSZACIVSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 110711966
2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 110712039
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
3-amino-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119883587
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide
CID 110711950
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230
2-amino-N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 119882375
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 976977
2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 90648634
2-(4-chlorophenoxy)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 16978760
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959
2-(4-fluorophenyl)-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]acetamide
CID 46328474

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide?
The IUPAC name of (3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide (CID 95324241) is (3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide is C[C@H](CC(=O)NCCc1nc2ccccc2n1C)c1ccc(F)cc1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide?
The InChIKey is BIJAZSLUPZIUQO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-14(15-7-9-16(21)10-8-15)13-20(25)22-12-11-19-23-17-5-3-4-6-18(17)24(19)2/h3-10,14H,11-13H2,1-2H3,(H,22,25)/t14-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide?
(3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide has a molecular weight of 339.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 95324241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).