N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

C21H19F2N5O — CID 55933919

IUPACN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)n1
InChIInChI=1S/C21H19F2N5O/c1-12-9-13(2)28(27-12)8-7-20(29)24-15-4-6-18-19(11-15)26-21(25-18)16-10-14(22)3-5-17(16)23/h3-6,9-11H,7-8H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyPEWXYBYUIJQOOG-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.35
Rot. Bonds5

About N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 55933919) has the molecular formula C21H19F2N5O and a molecular weight of 395.41 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID55933919
Molecular FormulaC21H19F2N5O
Molecular Weight395.41 g/mol
Exact Mass395.16
IUPAC NameN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)n1
InChIInChI=1S/C21H19F2N5O/c1-12-9-13(2)28(27-12)8-7-20(29)24-15-4-6-18-19(11-15)26-21(25-18)16-10-14(22)3-5-17(16)23/h3-6,9-11H,7-8H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyPEWXYBYUIJQOOG-UHFFFAOYSA-N
XLogP4.35
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide
CID 47066056
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55933923
N-[4-[[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 47066061
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55933918
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 52711183
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55971085
N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553830
N-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]acetamide
CID 10000153
N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide
CID 16786978
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55933793
N-[4-[2-[[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55934300
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]oxolane-2-carboxamide
CID 47066052

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 55933919) is N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(CCC(=O)Nc2ccc3nc(-c4cc(F)ccc4F)[nH]c3c2)n1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is PEWXYBYUIJQOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O/c1-12-9-13(2)28(27-12)8-7-20(29)24-15-4-6-18-19(11-15)26-21(25-18)16-10-14(22)3-5-17(16)23/h3-6,9-11H,7-8H2,1-2H3,(H,24,29)(H,25,26).
What are the key properties of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 395.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 55933919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).