N-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine

C26H29N3O — CID 19354031

IUPACN-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine
SMILESCc1cccc(-c2nc3ccc(OCCNC(C)C)cc3n2Cc2ccccc2)c1
InChIInChI=1S/C26H29N3O/c1-19(2)27-14-15-30-23-12-13-24-25(17-23)29(18-21-9-5-4-6-10-21)26(28-24)22-11-7-8-20(3)16-22/h4-13,16-17,19,27H,14-15,18H2,1-3H3
InChIKeyPYTQPCJZIIQFAW-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.44
Rot. Bonds8

About N-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine

N-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine (PubChem CID 19354031) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine
PubChem CID19354031
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC NameN-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine
SMILESCc1cccc(-c2nc3ccc(OCCNC(C)C)cc3n2Cc2ccccc2)c1
InChIInChI=1S/C26H29N3O/c1-19(2)27-14-15-30-23-12-13-24-25(17-23)29(18-21-9-5-4-6-10-21)26(28-24)22-11-7-8-20(3)16-22/h4-13,16-17,19,27H,14-15,18H2,1-3H3
InChIKeyPYTQPCJZIIQFAW-UHFFFAOYSA-N
XLogP5.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dibenzyl-2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethanamine
CID 19353943
1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
CID 45104451
2-[3-benzyl-2-(3,5-diphenylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylethanamine
CID 102328531
1-benzyl-6-(2-pyrrolidin-1-ylethoxy)-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 19353930
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000788
6-hexoxy-2-(3-methylphenyl)-1-phenylbenzimidazole
CID 141037240
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886
1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole
CID 134083781
3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol
CID 15388681
2-[3-[(2-bromophenyl)methyl]-2-(3-methylphenyl)benzimidazol-5-yl]oxy-N,N-dimethylpropan-1-amine
CID 19353970
1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole
CID 134083766
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine?
The IUPAC name of N-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine (CID 19354031) is N-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine.
What is the SMILES notation for N-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine?
The canonical SMILES for N-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine is Cc1cccc(-c2nc3ccc(OCCNC(C)C)cc3n2Cc2ccccc2)c1.
What is the InChIKey of N-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine?
The InChIKey is PYTQPCJZIIQFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-19(2)27-14-15-30-23-12-13-24-25(17-23)29(18-21-9-5-4-6-10-21)26(28-24)22-11-7-8-20(3)16-22/h4-13,16-17,19,27H,14-15,18H2,1-3H3.
What are the key properties of N-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine?
N-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine has a molecular weight of 399.54 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-benzyl-2-(3-methylphenyl)benzimidazol-5-yl]oxyethyl]propan-2-amine is sourced from PubChem (CID 19354031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).