N-[1-(1-butylbenzimidazol-2-yl)ethyl]butanamide

C17H25N3O — CID 3986120

IUPACN-[1-(1-butylbenzimidazol-2-yl)ethyl]butanamide
SMILESCCCCn1c(C(C)NC(=O)CCC)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-4-6-12-20-15-11-8-7-10-14(15)19-17(20)13(3)18-16(21)9-5-2/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,18,21)
InChIKeyPXWYMLXFYNNBIO-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.81
Rot. Bonds7

About N-[1-(1-butylbenzimidazol-2-yl)ethyl]butanamide

N-[1-(1-butylbenzimidazol-2-yl)ethyl]butanamide (PubChem CID 3986120) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[1-(1-butylbenzimidazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[1-(1-butylbenzimidazol-2-yl)ethyl]butanamide
PubChem CID3986120
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[1-(1-butylbenzimidazol-2-yl)ethyl]butanamide
SMILESCCCCn1c(C(C)NC(=O)CCC)nc2ccccc21
InChIInChI=1S/C17H25N3O/c1-4-6-12-20-15-11-8-7-10-14(15)19-17(20)13(3)18-16(21)9-5-2/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,18,21)
InChIKeyPXWYMLXFYNNBIO-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-butylbenzimidazol-2-yl)ethyl]butanamide?
The IUPAC name of N-[1-(1-butylbenzimidazol-2-yl)ethyl]butanamide (CID 3986120) is N-[1-(1-butylbenzimidazol-2-yl)ethyl]butanamide.
What is the SMILES notation for N-[1-(1-butylbenzimidazol-2-yl)ethyl]butanamide?
The canonical SMILES for N-[1-(1-butylbenzimidazol-2-yl)ethyl]butanamide is CCCCn1c(C(C)NC(=O)CCC)nc2ccccc21.
What is the InChIKey of N-[1-(1-butylbenzimidazol-2-yl)ethyl]butanamide?
The InChIKey is PXWYMLXFYNNBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-6-12-20-15-11-8-7-10-14(15)19-17(20)13(3)18-16(21)9-5-2/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,18,21).
What are the key properties of N-[1-(1-butylbenzimidazol-2-yl)ethyl]butanamide?
N-[1-(1-butylbenzimidazol-2-yl)ethyl]butanamide has a molecular weight of 287.41 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-butylbenzimidazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 3986120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).