2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine

C14H21N3O — CID 62564183

IUPAC2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(C)n1cnc2ccccc21
InChIInChI=1S/C14H21N3O/c1-12(10-15-8-5-9-18-2)17-11-16-13-6-3-4-7-14(13)17/h3-4,6-7,11-12,15H,5,8-10H2,1-2H3
InChIKeyUHQUXJDONZFYMF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.22
Rot. Bonds7

About 2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine

2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine (PubChem CID 62564183) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine
PubChem CID62564183
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine
SMILESCOCCCNCC(C)n1cnc2ccccc21
InChIInChI=1S/C14H21N3O/c1-12(10-15-8-5-9-18-2)17-11-16-13-6-3-4-7-14(13)17/h3-4,6-7,11-12,15H,5,8-10H2,1-2H3
InChIKeyUHQUXJDONZFYMF-UHFFFAOYSA-N
XLogP2.22
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-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

methyl 3-(benzimidazol-1-yl)butanoate
CID 43536389
1-butan-2-ylbenzimidazole;hydrochloride
CID 56832397
N-(3-methoxypropyl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 62562131
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 60721061
3-(benzimidazol-1-yl)-N-tert-butylbutan-1-amine
CID 62447049
N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)propan-1-amine
CID 62563351
4-(benzimidazol-1-yl)pentan-2-ol
CID 64720389
N-[2-(5,6-dimethylbenzimidazol-1-yl)propyl]butan-1-amine
CID 62562987
2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876740
3-(benzimidazol-1-yl)butanoic acid
CID 6486725
3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine
CID 79409526
N-(2,2-diphenylethyl)-4-methoxybutan-1-amine
CID 103896916

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine (CID 62564183) is 2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine is COCCCNCC(C)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine?
The InChIKey is UHQUXJDONZFYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-12(10-15-8-5-9-18-2)17-11-16-13-6-3-4-7-14(13)17/h3-4,6-7,11-12,15H,5,8-10H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine?
2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(3-methoxypropyl)propan-1-amine is sourced from PubChem (CID 62564183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).