N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide

C17H25N3O — CID 110773064

IUPACN-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
SMILESCCCCCNC(=O)Cc1ccc2c(c1)ncn2C(C)C
InChIInChI=1S/C17H25N3O/c1-4-5-6-9-18-17(21)11-14-7-8-16-15(10-14)19-12-20(16)13(2)3/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,18,21)
InChIKeyVNFFDOLACUFJAC-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.47
Rot. Bonds7

About N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide

N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide (PubChem CID 110773064) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
PubChem CID110773064
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
SMILESCCCCCNC(=O)Cc1ccc2c(c1)ncn2C(C)C
InChIInChI=1S/C17H25N3O/c1-4-5-6-9-18-17(21)11-14-7-8-16-15(10-14)19-12-20(16)13(2)3/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,18,21)
InChIKeyVNFFDOLACUFJAC-UHFFFAOYSA-N
XLogP3.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773039
2-(2-methylphenyl)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844785
2-acetamido-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 50844366
2,2-dimethyl-N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]propanamide
CID 110791708
N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110796167
N-[2-(1-propan-2-ylbenzimidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 110796168
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 50844462
2-(2-methylphenoxy)-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]acetamide
CID 110785922
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone
CID 110773051
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone
CID 110773059
5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 110794754
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide?
The IUPAC name of N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide (CID 110773064) is N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide?
The canonical SMILES for N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide is CCCCCNC(=O)Cc1ccc2c(c1)ncn2C(C)C.
What is the InChIKey of N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide?
The InChIKey is VNFFDOLACUFJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-5-6-9-18-17(21)11-14-7-8-16-15(10-14)19-12-20(16)13(2)3/h7-8,10,12-13H,4-6,9,11H2,1-3H3,(H,18,21).
What are the key properties of N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide?
N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide has a molecular weight of 287.41 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 110773064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).