N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide

C18H19N3O2 — CID 2472289

IUPACN-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H19N3O2/c1-13-6-4-7-14(12-13)23-11-5-10-17(22)21-18-19-15-8-2-3-9-16(15)20-18/h2-4,6-9,12H,5,10-11H2,1H3,(H2,19,20,21,22)
InChIKeyVHGXCKSMHQNBME-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.67
Rot. Bonds6

About N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide

N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide (PubChem CID 2472289) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide
PubChem CID2472289
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)Nc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H19N3O2/c1-13-6-4-7-14(12-13)23-11-5-10-17(22)21-18-19-15-8-2-3-9-16(15)20-18/h2-4,6-9,12H,5,10-11H2,1H3,(H2,19,20,21,22)
InChIKeyVHGXCKSMHQNBME-UHFFFAOYSA-N
XLogP3.67
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide
CID 2678988
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(3-methylphenoxy)butanamide
CID 46601910
N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)propanamide
CID 60700198
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylphenoxy)propanamide
CID 17296614
N-(1H-benzimidazol-2-yl)-2-(3-methylphenyl)acetamide
CID 62873665
2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 43236517
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide
CID 63565380
N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 63562593
(E)-N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enamide
CID 31494043
N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
CID 19173646

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide (CID 2472289) is N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide is Cc1cccc(OCCCC(=O)Nc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide?
The InChIKey is VHGXCKSMHQNBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-6-4-7-14(12-13)23-11-5-10-17(22)21-18-19-15-8-2-3-9-16(15)20-18/h2-4,6-9,12H,5,10-11H2,1H3,(H2,19,20,21,22).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide?
N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide has a molecular weight of 309.37 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide is sourced from PubChem (CID 2472289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).