N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide

C20H30N4O — CID 4972904

IUPACN-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(CCN1CCC(C)CC1)n2C
InChIInChI=1S/C20H30N4O/c1-4-5-20(25)21-16-6-7-18-17(14-16)22-19(23(18)3)10-13-24-11-8-15(2)9-12-24/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,21,25)
InChIKeyYFJJJDIUZFLDGR-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.59
Rot. Bonds6

About N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide

N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide (PubChem CID 4972904) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide
PubChem CID4972904
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(CCN1CCC(C)CC1)n2C
InChIInChI=1S/C20H30N4O/c1-4-5-20(25)21-16-6-7-18-17(14-16)22-19(23(18)3)10-13-24-11-8-15(2)9-12-24/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,21,25)
InChIKeyYFJJJDIUZFLDGR-UHFFFAOYSA-N
XLogP3.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
CID 4889006
N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide
CID 4888498
3-(4-methylpiperidin-1-yl)-N-[6-[3-(4-methylpiperidin-1-yl)propanoylamino]acridin-3-yl]propanamide
CID 24963056
N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]-3-nitrobenzamide
CID 4972043
N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide
CID 17218644
N-[1-methyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzimidazol-5-yl]butanamide
CID 7011906
N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide
CID 4886719
N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 46270443
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide
CID 4900397
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

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide?
The IUPAC name of N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide (CID 4972904) is N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide.
What is the SMILES notation for N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide?
The canonical SMILES for N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide is CCCC(=O)Nc1ccc2c(c1)nc(CCN1CCC(C)CC1)n2C.
What is the InChIKey of N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide?
The InChIKey is YFJJJDIUZFLDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-4-5-20(25)21-16-6-7-18-17(14-16)22-19(23(18)3)10-13-24-11-8-15(2)9-12-24/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,21,25).
What are the key properties of N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide?
N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide has a molecular weight of 342.49 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide is sourced from PubChem (CID 4972904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).