N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide

C22H27N3O2 — CID 60597306

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide
SMILESCCn1c(CN(C)C(=O)CCCOc2ccccc2C)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-4-25-19-12-7-6-11-18(19)23-21(25)16-24(3)22(26)14-9-15-27-20-13-8-5-10-17(20)2/h5-8,10-13H,4,9,14-16H2,1-3H3
InChIKeyCKMZSSLPVNTQJD-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.18
Rot. Bonds8

About N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide (PubChem CID 60597306) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide
PubChem CID60597306
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide
SMILESCCn1c(CN(C)C(=O)CCCOc2ccccc2C)nc2ccccc21
InChIInChI=1S/C22H27N3O2/c1-4-25-19-12-7-6-11-18(19)23-21(25)16-24(3)22(26)14-9-15-27-20-13-8-5-10-17(20)2/h5-8,10-13H,4,9,14-16H2,1-3H3
InChIKeyCKMZSSLPVNTQJD-UHFFFAOYSA-N
XLogP4.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965763
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide
CID 51097095
N-methyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 53044271
2-tert-butylsulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 60597055
N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 51096302
2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide
CID 17006449
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980702
2-ethyl-N-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974742
N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988210
2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide
CID 16969528
1-[2-(2-methylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996113

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide (CID 60597306) is N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide is CCn1c(CN(C)C(=O)CCCOc2ccccc2C)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide?
The InChIKey is CKMZSSLPVNTQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-25-19-12-7-6-11-18(19)23-21(25)16-24(3)22(26)14-9-15-27-20-13-8-5-10-17(20)2/h5-8,10-13H,4,9,14-16H2,1-3H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide has a molecular weight of 365.48 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 60597306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).