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

C18H27N3O — CID 5050310

IUPACN-[2-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
SMILESCCCCCn1c(CCNC(=O)CCC)nc2ccccc21
InChIInChI=1S/C18H27N3O/c1-3-5-8-14-21-16-11-7-6-10-15(16)20-17(21)12-13-19-18(22)9-4-2/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H,19,22)
InChIKeyMYAUCOPAGYSTDP-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.69
Rot. Bonds9

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

N-[2-(1-pentylbenzimidazol-2-yl)ethyl]butanamide (PubChem CID 5050310) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[2-(1-pentylbenzimidazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
PubChem CID5050310
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[2-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
SMILESCCCCCn1c(CCNC(=O)CCC)nc2ccccc21
InChIInChI=1S/C18H27N3O/c1-3-5-8-14-21-16-11-7-6-10-15(16)20-17(21)12-13-19-18(22)9-4-2/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H,19,22)
InChIKeyMYAUCOPAGYSTDP-UHFFFAOYSA-N
XLogP3.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.69
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-pentylbenzimidazol-2-yl)ethyl]butanamide?
The IUPAC name of N-[2-(1-pentylbenzimidazol-2-yl)ethyl]butanamide (CID 5050310) is N-[2-(1-pentylbenzimidazol-2-yl)ethyl]butanamide.
What is the SMILES notation for N-[2-(1-pentylbenzimidazol-2-yl)ethyl]butanamide?
The canonical SMILES for N-[2-(1-pentylbenzimidazol-2-yl)ethyl]butanamide is CCCCCn1c(CCNC(=O)CCC)nc2ccccc21.
What is the InChIKey of N-[2-(1-pentylbenzimidazol-2-yl)ethyl]butanamide?
The InChIKey is MYAUCOPAGYSTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-5-8-14-21-16-11-7-6-10-15(16)20-17(21)12-13-19-18(22)9-4-2/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(1-pentylbenzimidazol-2-yl)ethyl]butanamide?
N-[2-(1-pentylbenzimidazol-2-yl)ethyl]butanamide has a molecular weight of 301.43 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-pentylbenzimidazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 5050310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).