N-(1-heptylbenzimidazol-2-yl)propanamide

C17H25N3O — CID 3844957

IUPACN-(1-heptylbenzimidazol-2-yl)propanamide
SMILESCCCCCCCn1c(NC(=O)CC)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-3-5-6-7-10-13-20-15-12-9-8-11-14(15)18-17(20)19-16(21)4-2/h8-9,11-12H,3-7,10,13H2,1-2H3,(H,18,19,21)
InChIKeyXQLLJACJXNKEBS-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.36
Rot. Bonds8

About N-(1-heptylbenzimidazol-2-yl)propanamide

N-(1-heptylbenzimidazol-2-yl)propanamide (PubChem CID 3844957) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(1-heptylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-heptylbenzimidazol-2-yl)propanamide
PubChem CID3844957
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(1-heptylbenzimidazol-2-yl)propanamide
SMILESCCCCCCCn1c(NC(=O)CC)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-3-5-6-7-10-13-20-15-12-9-8-11-14(15)18-17(20)19-16(21)4-2/h8-9,11-12H,3-7,10,13H2,1-2H3,(H,18,19,21)
InChIKeyXQLLJACJXNKEBS-UHFFFAOYSA-N
XLogP4.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.36
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

CID 28780
CID 28780
CID 65906
CID 65906
CID 3219
CID 3219
CID 49855250
CID 49855250
CID 748256
CID 748256
CID 135727399
CID 135727399
CID 595193
CID 595193
CID 135531459
CID 135531459
CID 74187
CID 74187
CID 109017
CID 109017
CID 485094
CID 485094
CID 1540408
CID 1540408

Frequently Asked Questions

What is the IUPAC name of N-(1-heptylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-(1-heptylbenzimidazol-2-yl)propanamide (CID 3844957) is N-(1-heptylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-(1-heptylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-(1-heptylbenzimidazol-2-yl)propanamide is CCCCCCCn1c(NC(=O)CC)nc2ccccc21.
What is the InChIKey of N-(1-heptylbenzimidazol-2-yl)propanamide?
The InChIKey is XQLLJACJXNKEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-5-6-7-10-13-20-15-12-9-8-11-14(15)18-17(20)19-16(21)4-2/h8-9,11-12H,3-7,10,13H2,1-2H3,(H,18,19,21).
What are the key properties of N-(1-heptylbenzimidazol-2-yl)propanamide?
N-(1-heptylbenzimidazol-2-yl)propanamide has a molecular weight of 287.41 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-heptylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 3844957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).