(2S)-N-methyl-2-(2-propylbenzimidazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide

C22H24N6O2 — CID 126427263

IUPAC(2S)-N-methyl-2-(2-propylbenzimidazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCCCc1nc2ccccc2n1[C@@H](C)C(=O)N(C)Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C22H24N6O2/c1-4-9-19-24-16-10-5-6-12-18(16)28(19)15(2)22(29)27(3)14-20-25-21(26-30-20)17-11-7-8-13-23-17/h5-8,10-13,15H,4,9,14H2,1-3H3/t15-/m0/s1
InChIKeyFCSDQYOQFRZTLM-HNNXBMFYSA-N
MW404.47 g/mol
LogP3.65
Rot. Bonds7

About (2S)-N-methyl-2-(2-propylbenzimidazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide

(2S)-N-methyl-2-(2-propylbenzimidazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 126427263) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is (2S)-N-methyl-2-(2-propylbenzimidazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-(2-propylbenzimidazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID126427263
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name(2S)-N-methyl-2-(2-propylbenzimidazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCCCc1nc2ccccc2n1[C@@H](C)C(=O)N(C)Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C22H24N6O2/c1-4-9-19-24-16-10-5-6-12-18(16)28(19)15(2)22(29)27(3)14-20-25-21(26-30-20)17-11-7-8-13-23-17/h5-8,10-13,15H,4,9,14H2,1-3H3/t15-/m0/s1
InChIKeyFCSDQYOQFRZTLM-HNNXBMFYSA-N
XLogP3.65
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide
CID 103112366
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 97197907
5-ethyl-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-oxazole-4-carboxamide
CID 70740997
3-(2,4-difluorophenyl)-N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 70771980
N-methyl-3-phenyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 50984748
N-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-thiophen-2-ylbutanamide
CID 70765176
2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide
CID 61467796
(2R)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide
CID 124755986
(2S)-N-(2-methylphenyl)-2-[methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanamide
CID 124755985
2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 46976087
(2R)-2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 92628103

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-(2-propylbenzimidazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of (2S)-N-methyl-2-(2-propylbenzimidazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 126427263) is (2S)-N-methyl-2-(2-propylbenzimidazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for (2S)-N-methyl-2-(2-propylbenzimidazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for (2S)-N-methyl-2-(2-propylbenzimidazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is CCCc1nc2ccccc2n1[C@@H](C)C(=O)N(C)Cc1nc(-c2ccccn2)no1.
What is the InChIKey of (2S)-N-methyl-2-(2-propylbenzimidazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is FCSDQYOQFRZTLM-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-4-9-19-24-16-10-5-6-12-18(16)28(19)15(2)22(29)27(3)14-20-25-21(26-30-20)17-11-7-8-13-23-17/h5-8,10-13,15H,4,9,14H2,1-3H3/t15-/m0/s1.
What are the key properties of (2S)-N-methyl-2-(2-propylbenzimidazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
(2S)-N-methyl-2-(2-propylbenzimidazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 404.47 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-(2-propylbenzimidazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 126427263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).