(2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide

C23H24FN5O — CID 51598009

IUPAC(2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)[C@H](C)n1c(C)nc2ccccc21
InChIInChI=1S/C23H24FN5O/c1-14-20(15(2)29(27-14)19-11-9-18(24)10-12-19)13-25-23(30)16(3)28-17(4)26-21-7-5-6-8-22(21)28/h5-12,16H,13H2,1-4H3,(H,25,30)/t16-/m0/s1
InChIKeyBWJUAFAFRQNQLK-INIZCTEOSA-N
MW405.48 g/mol
LogP4.16
Rot. Bonds5

About (2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide

(2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide (PubChem CID 51598009) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is (2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
PubChem CID51598009
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name(2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)[C@H](C)n1c(C)nc2ccccc21
InChIInChI=1S/C23H24FN5O/c1-14-20(15(2)29(27-14)19-11-9-18(24)10-12-19)13-25-23(30)16(3)28-17(4)26-21-7-5-6-8-22(21)28/h5-12,16H,13H2,1-4H3,(H,25,30)/t16-/m0/s1
InChIKeyBWJUAFAFRQNQLK-INIZCTEOSA-N
XLogP4.16
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
CID 134102969
2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 78913706
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]butanamide
CID 51593677
(2S)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
CID 125440172
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55761518
N-[2-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]-2-methylpropanamide
CID 47044914
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 134013981
(E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]prop-2-enamide
CID 55408479
[2-[[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]phenyl]methanol
CID 47626637
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514464
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide
CID 55391273
2-(ethylamino)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidine-5-carboxamide
CID 72856313

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide (CID 51598009) is (2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide is Cc1nn(-c2ccc(F)cc2)c(C)c1CNC(=O)[C@H](C)n1c(C)nc2ccccc21.
What is the InChIKey of (2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide?
The InChIKey is BWJUAFAFRQNQLK-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-14-20(15(2)29(27-14)19-11-9-18(24)10-12-19)13-25-23(30)16(3)28-17(4)26-21-7-5-6-8-22(21)28/h5-12,16H,13H2,1-4H3,(H,25,30)/t16-/m0/s1.
What are the key properties of (2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide?
(2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide has a molecular weight of 405.48 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(2-methylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 51598009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).