N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide

C19H25N5O — CID 17218644

IUPACN-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(CCn1nc(C)cc1C)n2C
InChIInChI=1S/C19H25N5O/c1-5-6-19(25)20-15-7-8-17-16(12-15)21-18(23(17)4)9-10-24-14(3)11-13(2)22-24/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,25)
InChIKeyNMOCFFKLUHJKQM-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.37
Rot. Bonds6

About N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide

N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide (PubChem CID 17218644) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide
PubChem CID17218644
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(CCn1nc(C)cc1C)n2C
InChIInChI=1S/C19H25N5O/c1-5-6-19(25)20-15-7-8-17-16(12-15)21-18(23(17)4)9-10-24-14(3)11-13(2)22-24/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,25)
InChIKeyNMOCFFKLUHJKQM-UHFFFAOYSA-N
XLogP3.37
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 17218650
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
CID 4889006
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide
CID 4972904
N-[1-methyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzimidazol-5-yl]butanamide
CID 7011906
N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50752067
4-(3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-2-methylindol-5-yl)butanamide
CID 16673218
N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]pentanamide
CID 17218670
N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]pentanamide
CID 17244491
N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553830
N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-pyridin-4-ylbutanamide
CID 46964209
N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 46270443

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide?
The IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide (CID 17218644) is N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide?
The canonical SMILES for N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide is CCCC(=O)Nc1ccc2c(c1)nc(CCn1nc(C)cc1C)n2C.
What is the InChIKey of N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide?
The InChIKey is NMOCFFKLUHJKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-5-6-19(25)20-15-7-8-17-16(12-15)21-18(23(17)4)9-10-24-14(3)11-13(2)22-24/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,25).
What are the key properties of N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide?
N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide has a molecular weight of 339.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide is sourced from PubChem (CID 17218644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).