N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide

C16H23N3O — CID 7023918

IUPACN-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
SMILESCCCCCn1c([C@@H](C)NC(C)=O)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-4-5-8-11-19-15-10-7-6-9-14(15)18-16(19)12(2)17-13(3)20/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,17,20)/t12-/m1/s1
InChIKeyLNFNMOKRVOSTHB-GFCCVEGCSA-N
MW273.38 g/mol
LogP3.42
Rot. Bonds6

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

N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide (PubChem CID 7023918) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
PubChem CID7023918
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
SMILESCCCCCn1c([C@@H](C)NC(C)=O)nc2ccccc21
InChIInChI=1S/C16H23N3O/c1-4-5-8-11-19-15-10-7-6-9-14(15)18-16(19)12(2)17-13(3)20/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,17,20)/t12-/m1/s1
InChIKeyLNFNMOKRVOSTHB-GFCCVEGCSA-N
XLogP3.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.42
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-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
CID 6998468
N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide
CID 39948802
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]cyclopropanecarboxamide
CID 16969632
N-[1-(1-butylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 3243597
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965375
2-chloro-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16967636
N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965377
4-bromo-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 17009314
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide
CID 16970435
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 25345224

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide (CID 7023918) is N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide is CCCCCn1c([C@@H](C)NC(C)=O)nc2ccccc21.
What is the InChIKey of N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide?
The InChIKey is LNFNMOKRVOSTHB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-5-8-11-19-15-10-7-6-9-14(15)18-16(19)12(2)17-13(3)20/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,17,20)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide?
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide has a molecular weight of 273.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 7023918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).