N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide

C19H28N4O — CID 4889006

IUPACN-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(CCN1CCCCC1)n2C
InChIInChI=1S/C19H28N4O/c1-3-7-19(24)20-15-8-9-17-16(14-15)21-18(22(17)2)10-13-23-11-5-4-6-12-23/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,24)
InChIKeyWHYQJSWYEMAYQA-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.34
Rot. Bonds6

About N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide

N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide (PubChem CID 4889006) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
PubChem CID4889006
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(CCN1CCCCC1)n2C
InChIInChI=1S/C19H28N4O/c1-3-7-19(24)20-15-8-9-17-16(14-15)21-18(22(17)2)10-13-23-11-5-4-6-12-23/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,24)
InChIKeyWHYQJSWYEMAYQA-UHFFFAOYSA-N
XLogP3.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide
CID 4972904
N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]pentanamide
CID 17218670
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-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 53207693
N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide
CID 4886719
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide
CID 23612883
3-methyl-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]butanamide
CID 4900397
N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]pentanamide
CID 17244491
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide
CID 23612860
N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 46270443

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide?
The IUPAC name of N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide (CID 4889006) is N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide.
What is the SMILES notation for N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide?
The canonical SMILES for N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide is CCCC(=O)Nc1ccc2c(c1)nc(CCN1CCCCC1)n2C.
What is the InChIKey of N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide?
The InChIKey is WHYQJSWYEMAYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-3-7-19(24)20-15-8-9-17-16(14-15)21-18(22(17)2)10-13-23-11-5-4-6-12-23/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,24).
What are the key properties of N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide?
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide has a molecular weight of 328.46 g/mol, XLogP of 3.34, 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-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide is sourced from PubChem (CID 4889006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).